SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACP'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AJ6_A_NOVA1_1
(GYRASE)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 9 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 MN  A 996 ( 2.8A)
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 1.02A 1aj6A-1i5aA:
5.8		 1aj6A-1i5aA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AJ6_A_NOVA1_1
(GYRASE)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 9 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 ACP  A 601 (-2.9A)
ACP  A 601 (-3.8A)
None
ACP  A 601 ( 4.6A)
ACP  A 601 (-3.9A)
 0.90A 1aj6A-4xivA:
3.3		 1aj6A-4xivA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BU5_A_RBFA301_1
(PROTEIN (FLAVODOXIN))		 1g3r CELL DIVISION
INHIBITOR
(Pyrococcus
furiosus) 		4 / 7 THR A  18
ASN A  22
GLY A 222
ASP A 200
 ACP  A 238 (-3.7A)
None
None
None
 0.94A 1bu5A-1g3rA:
5.3		 1bu5A-1g3rA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 1g3r CELL DIVISION
INHIBITOR
(Pyrococcus
furiosus) 		5 / 8 THR A  18
ASN A  22
ASP A 179
GLY A 222
ASP A 200
 ACP  A 238 (-3.7A)
None
None
None
None
 1.05A 1bu5B-1g3rA:
5.3		 1bu5B-1g3rA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 THR A 235
GLY A 237
ALA A 267
GLY A 268
ALA A 298
 ACP  A 401 (-3.2A)
ACP  A 401 (-3.3A)
ACP  A 401 (-3.5A)
ACP  A 401 (-3.4A)
ACP  A 401 (-3.3A)
 0.49A 1bx4A-5c41A:
32.3		 1bx4A-5c41A:
26.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 9 VAL B 418
VAL B 432
LEU B 408
ILE B 379
ALA B 390
 None
None
None
ACP  B 801 (-4.0A)
ACP  B 801 (-3.2A)
 1.09A 1eqgA-4oavB:
undetectable		 1eqgA-4oavB:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 11 VAL B 418
VAL B 432
LEU B 408
ILE B 379
ALA B 390
 None
None
None
ACP  B 801 (-4.0A)
ACP  B 801 (-3.2A)
 1.08A 1eqgB-4oavB:
undetectable		 1eqgB-4oavB:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
GLY A 479
VAL A 486
ALA A 506
ASN A 622
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.64A 1fmoE-4k33A:
24.7		 1fmoE-4k33A:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 10 GLY A  64
GLN A 255
VAL A  48
ILE A  50
ARG A  51
 ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
None
None
None
 1.42A 1fohB-6ci7A:
undetectable		 1fohB-6ci7A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 10 GLY A  64
GLN A 255
VAL A  48
ILE A  50
ARG A  51
 ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
None
None
None
 1.42A 1fohC-6ci7A:
undetectable		 1fohC-6ci7A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 10 GLY A  64
GLN A 255
VAL A  48
ILE A  50
ARG A  51
 ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
None
None
None
 1.44A 1fohD-6ci7A:
undetectable		 1fohD-6ci7A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.85A 1iepA-4k33A:
26.4		 1iepA-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.15A 1iepA-4ueuA:
32.8		 1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
MET A  56
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 1.05A 1iepA-4ueuA:
32.8		 1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
MET A  56
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.14A 1iepA-4ueuA:
32.8		 1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.14A 1iepA-4ueuA:
32.8		 1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
MET A  56
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.96A 1iepA-4ueuA:
32.8		 1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
MET A  56
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.11A 1iepA-4ueuA:
32.8		 1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
None
 0.85A 1iepB-4k33A:
26.2		 1iepB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.66A 1iepB-4k33A:
26.2		 1iepB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 7 VAL A  65
ILE A  79
MET A  84
LEU A 136
 None
None
None
ACP  A1264 ( 4.8A)
 0.62A 1iepB-4ueuA:
32.9		 1iepB-4ueuA:
62.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		 5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG
(Thermococcus
kodakarensis) 		4 / 7 VAL B 226
LEU B  35
THR B  39
LEU B  42
 None
ACP  B 301 (-3.9A)
None
None
 0.94A 1jgsA-5auoB:
undetectable		 1jgsA-5auoB:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 8 LEU A  93
VAL A 137
CYH A 135
GLY A  87
 None
None
None
ACP  A1264 (-3.5A)
 1.02A 1jlfA-4ueuA:
undetectable
1jlfB-4ueuA:
undetectable		 1jlfA-4ueuA:
20.26
1jlfB-4ueuA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 ASP A 412
ASP A 449
ARG A 452
ILE A 454
THR A 531
 None
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 1.22A 1kijA-1i5aA:
5.8		 1kijA-1i5aA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 MN  A 996 ( 2.8A)
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 0.94A 1kijB-1i5aA:
5.7		 1kijB-1i5aA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 ACP  A 601 (-2.9A)
ACP  A 601 (-3.8A)
None
ACP  A 601 ( 4.6A)
ACP  A 601 (-3.9A)
 0.88A 1kijB-4xivA:
5.6		 1kijB-4xivA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 10 THR A 235
GLY A 237
ALA A 267
ASN A 295
ALA A 298
 ACP  A 401 (-3.2A)
ACP  A 401 (-3.3A)
ACP  A 401 (-3.5A)
ACP  A 401 (-3.5A)
ACP  A 401 (-3.3A)
 0.48A 1likA-5c41A:
32.4		 1likA-5c41A:
25.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
THR A  81
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.52A 1m17A-4ueuA:
32.4		 1m17A-4ueuA:
36.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M2Z_D_DEXD401_1
(GLUCOCORTICOID
RECEPTOR)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 MET A  78
GLY A  64
GLN A 255
THR A  20
ILE A  24
 ACP  A 500 (-4.6A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 3.9A)
None
 0.93A 1m2zD-6ci7A:
undetectable		 1m2zD-6ci7A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
GLY A 479
VAL A 486
ALA A 506
TYR A 557
ALA A 558
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.7A)
ACP  A 801 (-4.4A)
 0.73A 1muoA-4k33A:
18.3		 1muoA-4k33A:
28.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
GLY A  15
VAL A  22
ALA A  35
LEU A 136
TYR A  83
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 ( 4.8A)
ACP  A1264 ( 4.5A)
 1.18A 1muoA-4ueuA:
12.1		 1muoA-4ueuA:
28.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
GLY A  15
VAL A  22
ALA A  35
TYR A  83
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 0.93A 1muoA-4ueuA:
12.1		 1muoA-4ueuA:
28.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 11 GLY A 223
PHE A 248
GLY A 218
GLY A  27
GLY A  26
 None
None
ACP  A 302 (-3.2A)
INS  A 301 (-3.8A)
INS  A 301 (-3.1A)
 1.01A 1mxgA-4xf7A:
undetectable		 1mxgA-4xf7A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N49_D_RITD401_2
(PROTEASE)		 2pun METHYLTHIORIBOSE
KINASE
(Bacillus
subtilis) 		4 / 6 ASP A 250
GLY A  39
ILE A  38
ILE A 122
 MG  A 401 ( 2.8A)
ACP  A 999 ( 4.1A)
None
ACP  A 999 (-4.5A)
 0.88A 1n49D-2punA:
undetectable		 1n49D-2punA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG
(Thermococcus
kodakarensis) 		5 / 9 GLY B 239
ALA B 238
THR B  39
LEU B  35
LEU B 222
 None
None
None
ACP  B 301 (-3.9A)
ACP  B 301 ( 4.4A)
 1.10A 1nr6A-5auoB:
undetectable		 1nr6A-5auoB:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 4c5n PHOSPHOMETHYLPYRIMID
INE KINASE
(Staphylococcus
aureus) 		6 / 11 ASP A 188
GLY A 177
GLY A 213
THR A 220
VAL A 234
ILE A 174
 ACP  A 500 (-2.7A)
None
ACP  A 500 (-3.3A)
None
None
None
 1.33A 1ohrA-4c5nA:
undetectable		 1ohrA-4c5nA:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.75A 1opjA-4k33A:
25.3		 1opjA-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.58A 1opjA-4k33A:
25.3		 1opjA-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
VAL A  22
VAL A  65
THR A  81
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
 0.69A 1opjA-4ueuA:
32.3		 1opjA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
VAL A  65
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
None
 0.67A 1opjA-4ueuA:
32.3		 1opjA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
VAL A  65
THR A  81
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
 0.62A 1opjA-4ueuA:
32.3		 1opjA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
None
 0.81A 1opjB-4k33A:
25.2		 1opjB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.68A 1opjB-4k33A:
25.2		 1opjB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
None
None
 1.03A 1opjB-4ueuA:
32.3		 1opjB-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
MET A  56
VAL A  65
THR A  81
GLY A  87
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
 0.99A 1opjB-4ueuA:
32.3		 1opjB-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
ILE A  79
MET A  84
ARG A 128
 ACP  A1264 ( 4.5A)
None
None
None
 0.62A 1opjB-4ueuA:
32.2		 1opjB-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
LYS A  37
ILE A  79
ARG A 128
 ACP  A1264 ( 4.5A)
None
None
None
 0.90A 1opjB-4ueuA:
32.2		 1opjB-4ueuA:
62.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 11 GLY A 125
GLY A 123
ILE A  21
TYR A 130
LEU A 179
 ACP  A 301 (-2.8A)
None
None
None
None
 1.23A 1p91A-4x9lA:
undetectable		 1p91A-4x9lA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 MET A  78
GLY A  64
GLN A 255
THR A  20
ILE A  24
 ACP  A 500 (-4.6A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 3.9A)
None
 1.03A 1p93A-6ci7A:
undetectable		 1p93A-6ci7A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_B_DEXB2999_1
(GLUCOCORTICOID
RECEPTOR)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 MET A  78
GLY A  64
GLN A 255
THR A  20
ILE A  24
 ACP  A 500 (-4.6A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 3.9A)
None
 1.08A 1p93B-6ci7A:
undetectable		 1p93B-6ci7A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_D_DEXD4999_1
(GLUCOCORTICOID
RECEPTOR)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 MET A  78
GLY A  64
GLN A 255
THR A  20
ILE A  24
 ACP  A 500 (-4.6A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 3.9A)
None
 0.92A 1p93D-6ci7A:
undetectable		 1p93D-6ci7A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4amf PHOX
(Pseudomonas
fluorescens) 		4 / 6 ARG A 385
ASP A  69
ASP A  66
ASN A  93
 ACP  A1589 (-2.8A)
CA  A1592 ( 4.5A)
EDO  A1598 ( 3.7A)
EDO  A1598 (-3.4A)
 1.30A 1rjdA-4amfA:
undetectable		 1rjdA-4amfA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4amf PHOX
(Pseudomonas
fluorescens) 		4 / 6 ARG A 385
ASP A  69
ASP A  66
ASN A  93
 ACP  A1589 (-2.8A)
CA  A1592 ( 4.5A)
EDO  A1598 ( 3.7A)
EDO  A1598 (-3.4A)
 1.29A 1rjdB-4amfA:
undetectable		 1rjdB-4amfA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4amf PHOX
(Pseudomonas
fluorescens) 		4 / 6 ARG A 385
ASP A  69
ASP A  66
ASN A  93
 ACP  A1589 (-2.8A)
CA  A1592 ( 4.5A)
EDO  A1598 ( 3.7A)
EDO  A1598 (-3.4A)
 1.32A 1rjdC-4amfA:
undetectable		 1rjdC-4amfA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.44A 1s14A-4x9lA:
10.5		 1s14A-4x9lA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 ASP A  42
ASP A  81
MET A  86
ASP A 144
THR A 173
 None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
None
ACP  A 301 (-3.8A)
 1.35A 1s14A-4x9lA:
10.5		 1s14A-4x9lA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 SER A  40
ASP A  42
ASP A  81
ASP A 144
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
None
ACP  A 301 (-3.8A)
 0.96A 1s14A-4x9lA:
10.5		 1s14A-4x9lA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)		 5xag TUBULIN TYROSINE
LIGASE
(Gallus
gallus) 		4 / 5 LYS F 184
PHE F 319
LEU F 186
LEU F  87
 None
None
ACP  F 402 (-4.0A)
None
 1.21A 1skxA-5xagF:
undetectable		 1skxA-5xagF:
14.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.86A 1t46A-4ueuA:
31.5		 1t46A-4ueuA:
38.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
THR A  81
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
 0.79A 1t46A-4ueuA:
31.5		 1t46A-4ueuA:
38.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE
(Arabidopsis
thaliana) 		5 / 12 LEU A 432
LEU A 482
GLY A 481
PHE A 349
ALA A 425
 None
None
None
None
ACP  A 904 (-3.6A)
 1.12A 1tlsA-5ksdA:
undetectable		 1tlsA-5ksdA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens) 		4 / 7 GLY A 530
THR A 535
ILE A 509
GLY A 532
 ACP  A 900 (-3.5A)
ACP  A 900 (-3.9A)
ACP  A 900 (-4.8A)
ACP  A 900 (-3.5A)
 0.87A 1usqA-4ayxA:
undetectable		 1usqA-4ayxA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
LEU B 408
CYH B 437
LEU B 475
HIS B 483
 ACP  B 801 (-3.2A)
None
ACP  B 801 (-4.5A)
None
None
 0.66A 1uwhA-4oavB:
17.1		 1uwhA-4oavB:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 12 ALA B 390
LYS B 392
LEU B 408
CYH B 437
LEU B 475
HIS B 483
 ACP  B 801 (-3.2A)
ACP  B 801 (-2.8A)
None
ACP  B 801 (-4.5A)
None
None
 0.79A 1uwhB-4oavB:
17.1		 1uwhB-4oavB:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LYS A  37
GLU A  52
THR A  81
LEU A 120
HIS A 127
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 0.83A 1uwhB-4ueuA:
28.4		 1uwhB-4ueuA:
36.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
GLU A  52
THR A  81
LEU A 120
HIS A 127
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
None
 0.85A 1uwjA-4ueuA:
11.4		 1uwjA-4ueuA:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
GLU A  52
THR A  81
LEU A 120
HIS A 127
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
None
 0.85A 1uwjB-4ueuA:
11.5		 1uwjB-4ueuA:
36.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 9 LEU A 478
VAL A 486
ALA A 506
ALA A 558
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-3.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.66A 1xbbA-4k33A:
35.9		 1xbbA-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 9 LEU A  14
VAL A  22
ALA A  35
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.35A 1xbbA-4ueuA:
34.3		 1xbbA-4ueuA:
42.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
THR A  81
GLY A  87
LEU A  90
ASP A  91
ARG A  94
LEU A 136
 ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
None
None
ACP  A1264 ( 4.8A)
 0.72A 1xkkA-4ueuA:
29.0		 1xkkA-4ueuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
THR A  81
LEU A  90
ARG A  94
LEU A 136
PHE A 148
 ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
None
None
ACP  A1264 ( 4.8A)
None
 0.97A 1xkkA-4ueuA:
29.0		 1xkkA-4ueuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XKK_A_FMMA91_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 GLY A  87
LEU A  90
ASP A  91
ARG A  94
LEU A 136
ASP A 147
 ACP  A1264 (-3.5A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.76A 1xkkA-4ueuA:
29.0		 1xkkA-4ueuA:
34.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens) 		5 / 12 TYR A 544
SER A 531
ILE A 509
VAL A 536
LEU A 704
 None
ACP  A 900 (-3.9A)
ACP  A 900 (-4.8A)
None
None
 1.44A 1z9hA-4ayxA:
4.7		 1z9hA-4ayxA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_B_IMNB381_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens) 		5 / 12 TYR A 544
SER A 531
ILE A 509
VAL A 536
LEU A 704
 None
ACP  A 900 (-3.9A)
ACP  A 900 (-4.8A)
None
None
 1.44A 1z9hB-4ayxA:
undetectable		 1z9hB-4ayxA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens) 		5 / 12 TYR A 544
SER A 531
ILE A 509
VAL A 536
LEU A 704
 None
ACP  A 900 (-3.9A)
ACP  A 900 (-4.8A)
None
None
 1.44A 1z9hC-4ayxA:
4.7		 1z9hC-4ayxA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z9H_D_IMND476_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens) 		5 / 12 THR A 535
ILE A 688
SER A 531
VAL A 536
LEU A 704
 ACP  A 900 (-3.9A)
None
ACP  A 900 (-3.9A)
None
None
 1.13A 1z9hD-4ayxA:
4.7		 1z9hD-4ayxA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		5 / 12 THR Y 267
GLY Y 266
GLY Y 410
THR Y 264
GLN Y 246
 ACP  Y 601 (-3.6A)
ACP  Y 601 (-3.6A)
ACP  Y 601 ( 4.2A)
None
GOL  Y 600 (-3.2A)
 1.32A 2azxA-1gllY:
undetectable		 2azxA-1gllY:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		5 / 12 THR Y 267
GLY Y 266
GLY Y 410
THR Y 264
GLN Y 246
 ACP  Y 601 (-3.6A)
ACP  Y 601 (-3.6A)
ACP  Y 601 ( 4.2A)
None
GOL  Y 600 (-3.2A)
 1.28A 2azxB-1gllY:
undetectable		 2azxB-1gllY:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 11 ILE A  80
PHE A   6
ASN A  21
ILE A 166
ILE A  22
 None
None
None
ACP  A 301 (-4.2A)
None
 1.03A 2blaA-4e09A:
4.1		 2blaA-4e09A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_F_SAMF301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		3 / 3 LYS A 352
ASP A 556
CYH A 364
 ACP  A1001 ( 4.3A)
None
None
 1.12A 2br4F-3tlmA:
2.8		 2br4F-3tlmA:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		7 / 12 ILE B 371
LYS B 392
VAL B 418
ASN B 490
LEU B 492
ALA B 502
ASP B 503
 ACP  B 801 (-4.2A)
ACP  B 801 (-2.8A)
None
MG  B 802 ( 2.5A)
ACP  B 801 (-4.5A)
None
MG  B 803 (-1.8A)
 0.81A 2eufB-4oavB:
19.6		 2eufB-4oavB:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EVA_A_ADNA498_1
(TAK1 KINASE - TAB1
CHIMERA FUSION
PROTEIN)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 11 GLY A 479
VAL A 486
ALA A 506
TYR A 557
ALA A 558
LEU A 624
 ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.7A)
ACP  A 801 (-4.4A)
 0.49A 2evaA-4k33A:
27.5		 2evaA-4k33A:
28.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 LEU A 478
GLY A 479
VAL A 486
ALA A 506
TYR A 557
ASN A 622
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
MG  A 802 ( 2.4A)
 0.59A 2fumC-4k33A:
18.4		 2fumC-4k33A:
29.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.79A 2gqgA-4k33A:
31.6		 2gqgA-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.49A 2gqgA-4ueuA:
35.8		 2gqgA-4ueuA:
65.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.51A 2gqgB-4k33A:
36.0		 2gqgB-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.64A 2gqgB-4ueuA:
35.9		 2gqgB-4ueuA:
65.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.50A 2gqgB-4ueuA:
35.9		 2gqgB-4ueuA:
65.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.83A 2hyyA-4k33A:
26.3		 2hyyA-4k33A:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.87A 2hyyA-4k33A:
26.3		 2hyyA-4k33A:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.77A 2hyyB-4k33A:
26.4		 2hyyB-4k33A:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.64A 2hyyB-4k33A:
26.4		 2hyyB-4k33A:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
LYS A  37
VAL A  65
ILE A  79
 ACP  A1264 ( 4.5A)
None
None
None
 0.80A 2hyyB-4ueuA:
33.0		 2hyyB-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
VAL A  65
ILE A  79
MET A  84
 ACP  A1264 ( 4.5A)
None
None
None
 0.68A 2hyyB-4ueuA:
33.0		 2hyyB-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.81A 2hyyC-4k33A:
26.4		 2hyyC-4k33A:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
ILE A  55
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 1.23A 2hyyC-4ueuA:
33.2		 2hyyC-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
ILE A  55
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.18A 2hyyC-4ueuA:
33.2		 2hyyC-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
VAL A  65
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.58A 2hyyC-4ueuA:
33.2		 2hyyC-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
VAL A  65
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.76A 2hyyC-4ueuA:
33.2		 2hyyC-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.82A 2hyyD-4k33A:
26.2		 2hyyD-4k33A:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
ILE A  79
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 0.94A 2hyyD-4ueuA:
32.6		 2hyyD-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.08A 2hyyD-4ueuA:
32.6		 2hyyD-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
ILE A  55
ILE A  79
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.11A 2hyyD-4ueuA:
32.6		 2hyyD-4ueuA:
66.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.71A 2itoA-4k33A:
26.9		 2itoA-4k33A:
32.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.78A 2itoA-4ueuA:
32.3		 2itoA-4ueuA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
MET A  56
THR A  81
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.74A 2itoA-4ueuA:
32.3		 2itoA-4ueuA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
GLY A 479
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
MG  A 802 ( 3.0A)
 0.80A 2ityA-4k33A:
28.6		 2ityA-4k33A:
32.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.78A 2ityA-4k33A:
28.6		 2ityA-4k33A:
32.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
GLY A  15
ALA A  35
LYS A  37
MET A  56
THR A  81
GLY A  87
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
 0.69A 2ityA-4ueuA:
32.4		 2ityA-4ueuA:
35.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
GLY A  15
VAL A  22
ALA A  35
LYS A  37
MET A  56
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.59A 2ityA-4ueuA:
32.4		 2ityA-4ueuA:
35.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
GLY A  15
VAL A  22
LYS A  37
GLU A  52
MET A  56
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
None
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.71A 2ityA-4ueuA:
32.4		 2ityA-4ueuA:
35.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.78A 2itzA-4k33A:
28.5		 2itzA-4k33A:
32.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.84A 2itzA-4ueuA:
32.0		 2itzA-4ueuA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
GLY A 479
VAL A 486
LYS A 508
GLU A 525
VAL A 555
TYR A 557
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
None
ACP  A 801 (-4.4A)
 0.56A 2ivuA-4k33A:
30.8		 2ivuA-4k33A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
LYS A 508
GLU A 525
VAL A 555
TYR A 557
ALA A 558
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
None
ACP  A 801 (-3.7A)
ACP  A 801 (-4.4A)
 0.54A 2ivuA-4k33A:
30.8		 2ivuA-4k33A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
GLY A  15
VAL A  22
LYS A  37
GLU A  52
TYR A  83
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 0.56A 2ivuA-4ueuA:
34.0		 2ivuA-4ueuA:
38.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.91A 2oiqA-4k33A:
25.6		 2oiqA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
ILE A  79
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.87A 2oiqA-4ueuA:
34.2		 2oiqA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
ILE A  79
THR A  81
TYR A  83
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
 0.67A 2oiqA-4ueuA:
34.2		 2oiqA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
MET A  56
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.76A 2oiqA-4ueuA:
34.2		 2oiqA-4ueuA:
62.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 12 ASP A  12
GLY A  25
GLY A  26
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 0.70A 2pkkA-4xf7A:
26.9		 2pkkA-4xf7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.55A 2pkkA-5c41A:
30.8		 2pkkA-5c41A:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 SER A  23
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.56A 2pkkA-5c41A:
30.8		 2pkkA-5c41A:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 12 ASP A  12
GLY A  25
GLY A  26
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 0.71A 2pkmA-4xf7A:
27.0		 2pkmA-4xf7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.55A 2pkmA-5c41A:
30.6		 2pkmA-5c41A:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 SER A  23
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.56A 2pkmA-5c41A:
30.6		 2pkmA-5c41A:
27.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
TYR A  83
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
None
 0.93A 2pl0A-4ueuA:
33.3		 2pl0A-4ueuA:
55.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
TYR A  83
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
None
 0.76A 2pl0A-4ueuA:
33.3		 2pl0A-4ueuA:
55.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
THR A  81
TYR A  83
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
 0.92A 2pl0A-4ueuA:
33.3		 2pl0A-4ueuA:
55.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
ILE A  79
THR A  81
TYR A  83
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
 0.79A 2pl0A-4ueuA:
33.3		 2pl0A-4ueuA:
55.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
MET A  56
VAL A  65
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.05A 2pl0A-4ueuA:
33.3		 2pl0A-4ueuA:
55.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2PL0_A_STIA200_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
VAL A  65
ILE A  79
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.87A 2pl0A-4ueuA:
33.3		 2pl0A-4ueuA:
55.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 GLY A 479
VAL A 486
ALA A 506
TYR A 557
GLY A 561
ALA A 634
ASP A 635
 ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
None
MG  A 802 ( 3.0A)
 0.92A 2wgjA-4k33A:
28.4		 2wgjA-4k33A:
37.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 GLY A  15
VAL A  22
ALA A  35
TYR A  83
MET A  84
GLY A  87
ALA A 146
 ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
None
 0.64A 2wgjA-4ueuA:
31.1		 2wgjA-4ueuA:
39.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WGJ_A_VGHA2346_1
(HEPATOCYTE GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
TYR A  83
MET A  84
GLY A  87
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
None
None
 0.65A 2wgjA-4ueuA:
31.1		 2wgjA-4ueuA:
39.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 9 LEU A 478
VAL A 486
ALA A 506
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.62A 2xp2A-4k33A:
32.7		 2xp2A-4k33A:
38.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 9 LEU A  14
VAL A  22
ALA A  35
MET A  84
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.44A 2xp2A-4ueuA:
32.7		 2xp2A-4ueuA:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.66A 2y6oA-4k33A:
33.0		 2y6oA-4k33A:
32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LYS A 476
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
LEU A 624
 None
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
 0.76A 2y6oA-4k33A:
33.0		 2y6oA-4k33A:
32.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
GLU A  52
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.54A 2y6oA-4ueuA:
33.7		 2y6oA-4ueuA:
45.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.74A 2y6oA-4ueuA:
33.7		 2y6oA-4ueuA:
45.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ILE B 371
ALA B 502
THR B 440
LEU B 475
PHE B 504
 ACP  B 801 (-4.2A)
None
ACP  B 801 (-4.1A)
None
None
 1.08A 2y7hB-4oavB:
undetectable		 2y7hB-4oavB:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ILE B 371
ALA B 502
THR B 440
LEU B 475
PHE B 504
 ACP  B 801 (-4.2A)
None
ACP  B 801 (-4.1A)
None
None
 1.07A 2y7hC-4oavB:
undetectable		 2y7hC-4oavB:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 VAL A  22
ALA A  35
MET A  84
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.54A 2y7jC-4ueuA:
27.0		 2y7jC-4ueuA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_D_B49D1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 VAL A  22
ALA A  35
MET A  84
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.55A 2y7jD-4ueuA:
27.2		 2y7jD-4ueuA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YHD_A_TESA1920_1
(ANDROGEN RECEPTOR)		 4zdk CTP SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 263
LEU A  26
GLY A  25
MET A  44
ARG A  84
 None
ACP  A 602 (-4.0A)
ACP  A 602 ( 3.1A)
None
None
 1.48A 2yhdA-4zdkA:
undetectable		 2yhdA-4zdkA:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 4mv3 BIOTIN CARBOXYLASE
(Haemophilus
influenzae) 		4 / 8 LYS A 238
ASN A 290
ARG A 292
GLU A 296
 BCT  A 503 ( 3.8A)
ACP  A 501 (-3.9A)
BCT  A 503 (-2.7A)
BCT  A 503 (-3.4A)
 0.96A 2ys6A-4mv3A:
28.4		 2ys6A-4mv3A:
26.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.69A 2zvaA-4k33A:
27.9		 2zvaA-4k33A:
36.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		12 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
ILE A  79
THR A  81
MET A  84
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.48A 2zvaA-4ueuA:
37.8		 2zvaA-4ueuA:
57.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 10 ARG A  12
LEU A  14
ALA A  35
LYS A  37
VAL A  65
MET A  84
GLY A  87
LEU A 136
 None
ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.65A 3aoxA-4ueuA:
31.3		 3aoxA-4ueuA:
39.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		 4zdk CTP SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 SER A 529
SER A 319
GLU A  65
ASP A 315
 None
None
None
ACP  A 602 ( 4.9A)
 1.32A 3bc9A-4zdkA:
undetectable		 3bc9A-4zdkA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_C_DVAC10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		3 / 3 GLY A 414
GLY A 530
GLY A 451
 ACP  A 998 (-3.4A)
None
None
 0.34A 3bogC-1i5aA:
0.0		 3bogC-1i5aA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_D_DVAD10_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		3 / 3 GLY A 414
GLY A 530
GLY A 451
 ACP  A 998 (-3.4A)
None
None
 0.39A 3bogD-1i5aA:
undetectable		 3bogD-1i5aA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE
(Arabidopsis
thaliana) 		5 / 12 GLY A 589
ASP A 329
ASP A 607
GLY A 159
ASP A 592
 None
ACP  A 904 ( 4.7A)
None
None
None
 0.98A 3bwcB-5ksdA:
undetectable		 3bwcB-5ksdA:
18.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
GLY A  15
GLU A  24
ALA A  35
LYS A  37
VAL A  65
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
None
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.89A 3c7qA-4ueuA:
30.0		 3c7qA-4ueuA:
39.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
LYS A  37
VAL A  65
ILE A  79
VAL A 145
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
None
 0.70A 3cs9A-4ueuA:
32.6		 3cs9A-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
VAL A  65
ILE A  79
VAL A 145
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
None
 0.67A 3cs9A-4ueuA:
32.6		 3cs9A-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.78A 3cs9A-4k33A:
26.4		 3cs9A-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
MET A 529
ILE A 532
GLY A 561
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
None
ACP  A 801 (-4.4A)
None
 0.58A 3cs9A-4k33A:
26.4		 3cs9A-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
ILE A  55
THR A  81
GLY A  87
HIS A 127
LEU A 136
ALA A 146
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 1.45A 3cs9A-4ueuA:
32.8		 3cs9A-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
LEU A  64
THR A  81
GLY A  87
HIS A 127
LEU A 136
ALA A 146
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.45A 3cs9A-4ueuA:
32.8		 3cs9A-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
MET A  56
LEU A  64
THR A  81
HIS A 127
LEU A 136
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 ( 4.8A)
 0.81A 3cs9A-4ueuA:
32.8		 3cs9A-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
None
 0.68A 3cs9B-4k33A:
26.8		 3cs9B-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 506
ILE A 532
GLY A 561
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
None
None
 0.46A 3cs9B-4k33A:
26.8		 3cs9B-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
ILE A  55
THR A  81
GLY A  87
HIS A 127
ALA A 146
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
None
 1.45A 3cs9B-4ueuA:
32.8		 3cs9B-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LEU A  64
THR A  81
GLY A  87
HIS A 127
ALA A 146
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
None
 0.42A 3cs9B-4ueuA:
32.8		 3cs9B-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
VAL A  22
LYS A  37
VAL A  65
ILE A  79
PHE A 125
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
None
 0.69A 3cs9B-4ueuA:
32.8		 3cs9B-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 9 LEU A  14
VAL A  22
VAL A  65
ILE A  79
PHE A 125
LEU A 136
VAL A 145
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.71A 3cs9B-4ueuA:
32.8		 3cs9B-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
None
 0.86A 3cs9C-4k33A:
26.1		 3cs9C-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
GLU A  52
MET A  56
LEU A  64
THR A  81
HIS A 127
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
None
None
 1.22A 3cs9C-4ueuA:
32.8		 3cs9C-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
MET A  56
LEU A  64
THR A  81
HIS A 127
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
None
 1.09A 3cs9C-4ueuA:
32.8		 3cs9C-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
VAL A  22
LYS A  37
VAL A  65
ILE A  79
VAL A 145
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
None
 0.72A 3cs9C-4ueuA:
32.8		 3cs9C-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_C_NILC600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
VAL A  22
VAL A  65
ILE A  79
MET A  84
VAL A 145
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
None
 0.66A 3cs9C-4ueuA:
32.8		 3cs9C-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
MET A 529
ILE A 532
GLY A 561
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
None
None
 0.57A 3cs9D-4k33A:
26.3		 3cs9D-4k33A:
38.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LEU A  64
THR A  81
GLY A  87
HIS A 127
ALA A 146
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
None
 0.32A 3cs9D-4ueuA:
31.7		 3cs9D-4ueuA:
65.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
VAL A  22
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 ( 4.8A)
None
 0.83A 3cs9D-4ueuA:
31.7		 3cs9D-4ueuA:
65.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 LEU A 314
ALA A  14
PRO A  17
VAL A  74
THR A  20
 None
None
ACP  A 500 ( 4.6A)
None
ACP  A 500 ( 3.9A)
 1.27A 3cwkA-6ci7A:
undetectable		 3cwkA-6ci7A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 12 GLY A  14
GLY A  11
THR A 138
PHE A 162
ILE A 102
 ACP  A 301 (-3.2A)
ACP  A 301 (-3.5A)
None
None
None
 0.87A 3elwA-4e09A:
undetectable		 3elwA-4e09A:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
GLY A 479
GLY A 484
VAL A 486
ALA A 506
LYS A 508
ASN A 622
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
 0.60A 3eygA-4k33A:
34.2		 3eygA-4k33A:
33.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 5c93 HISTIDINE KINASE
(Lactobacillus
plantarum) 		4 / 8 GLY A 553
ASP A 551
ILE A 547
VAL A 593
 None
None
ACP  A 701 ( 4.8A)
None
 0.74A 3fi0B-5c93A:
undetectable		 3fi0B-5c93A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 THR A  20
SER A 239
LEU A 314
THR A   3
ARG A 248
 ACP  A 500 ( 3.9A)
None
None
None
ACP  A 500 (-3.1A)
 1.43A 3fsuA-6ci7A:
undetectable		 3fsuA-6ci7A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FSU_E_C2FE995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 11 THR A  20
SER A 239
LEU A 314
THR A   3
ARG A 248
 ACP  A 500 ( 3.9A)
None
None
None
ACP  A 500 (-3.1A)
 1.39A 3fsuE-6ci7A:
undetectable		 3fsuE-6ci7A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
GLY A 479
GLY A 481
GLY A 484
VAL A 486
ALA A 506
TYR A 557
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-4.4A)
 0.74A 3fupA-4k33A:
28.1		 3fupA-4k33A:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
GLY A 479
GLY A 481
VAL A 486
ALA A 506
TYR A 557
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-4.4A)
 0.48A 3fupB-4k33A:
26.6		 3fupB-4k33A:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 11 LEU A  14
VAL A  22
ALA A  35
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.73A 3g0eA-4ueuA:
29.7		 3g0eA-4ueuA:
35.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 11 VAL A  22
ALA A  35
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.75A 3g0eA-4ueuA:
29.7		 3g0eA-4ueuA:
35.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 11 LEU A 478
VAL A 486
ALA A 506
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.77A 3g0fA-4k33A:
33.6		 3g0fA-4k33A:
47.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 11 LEU A  14
VAL A  22
ALA A  35
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.76A 3g0fA-4ueuA:
30.7		 3g0fA-4ueuA:
35.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 10 LEU A 478
VAL A 486
ALA A 506
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.62A 3g0fB-4k33A:
27.3		 3g0fB-4k33A:
47.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 10 LEU A  14
VAL A  22
ALA A  35
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.67A 3g0fB-4ueuA:
31.0		 3g0fB-4ueuA:
35.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.53A 3g5dA-4k33A:
26.3		 3g5dA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.66A 3g5dA-4ueuA:
35.3		 3g5dA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.53A 3g5dA-4ueuA:
35.3		 3g5dA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.65A 3g5dB-4k33A:
26.3		 3g5dB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.65A 3g5dB-4ueuA:
35.5		 3g5dB-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.56A 3g5dB-4ueuA:
35.5		 3g5dB-4ueuA:
62.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
GLU A  52
THR A  81
HIS A 127
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
None
 1.15A 3gp0A-4ueuA:
21.8		 3gp0A-4ueuA:
27.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.74A 3gvuA-4k33A:
26.6		 3gvuA-4k33A:
41.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.02A 3gvuA-4ueuA:
32.9		 3gvuA-4ueuA:
62.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.77A 3ik3A-4k33A:
26.0		 3ik3A-4k33A:
37.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 506
ILE A 532
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.4A)
None
 0.66A 3ik3A-4k33A:
26.0		 3ik3A-4k33A:
37.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 12 ALA B 390
LEU B 417
VAL B 418
HIS B 483
LEU B 492
ALA B 502
 ACP  B 801 (-3.2A)
None
None
None
ACP  B 801 (-4.5A)
None
 0.74A 3ik3A-4oavB:
16.8		 3ik3A-4oavB:
17.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LEU A  64
VAL A  65
HIS A 127
LEU A 136
ALA A 146
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.48A 3ik3A-4ueuA:
32.2		 3ik3A-4ueuA:
63.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.75A 3ik3B-4k33A:
25.7		 3ik3B-4k33A:
37.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 506
ILE A 532
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.4A)
None
 0.59A 3ik3B-4k33A:
25.7		 3ik3B-4k33A:
37.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
LEU B 417
HIS B 483
LEU B 492
ALA B 502
 ACP  B 801 (-3.2A)
None
None
ACP  B 801 (-4.5A)
None
 0.57A 3ik3B-4oavB:
16.6		 3ik3B-4oavB:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 LEU B 417
VAL B 418
HIS B 483
LEU B 492
ALA B 502
 None
None
None
ACP  B 801 (-4.5A)
None
 0.70A 3ik3B-4oavB:
16.6		 3ik3B-4oavB:
17.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LEU A  64
VAL A  65
HIS A 127
LEU A 136
ALA A 146
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.52A 3ik3B-4ueuA:
31.9		 3ik3B-4ueuA:
63.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLU A 416
GLY A 453
VAL A 369
GLY A 430
ILE A 415
 None
ACP  A 601 (-4.7A)
None
None
None
 1.21A 3k13A-4xivA:
undetectable		 3k13A-4xivA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLU A 416
GLY A 453
VAL A 369
GLY A 430
ILE A 415
 None
ACP  A 601 (-4.7A)
None
None
None
 1.22A 3k13B-4xivA:
undetectable		 3k13B-4xivA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLU A 416
GLY A 453
VAL A 369
GLY A 430
ILE A 415
 None
ACP  A 601 (-4.7A)
None
None
None
 1.22A 3k13C-4xivA:
undetectable		 3k13C-4xivA:
24.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.71A 3k54A-4k33A:
31.5		 3k54A-4k33A:
35.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.55A 3k54A-4ueuA:
32.8		 3k54A-4ueuA:
47.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.53A 3k54A-4ueuA:
32.8		 3k54A-4ueuA:
47.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.76A 3k5vA-4k33A:
30.8		 3k5vA-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.82A 3k5vA-4k33A:
30.8		 3k5vA-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.09A 3k5vA-4ueuA:
22.5		 3k5vA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
LYS A  37
VAL A  65
ILE A  79
 ACP  A1264 ( 4.5A)
None
None
None
 0.71A 3k5vA-4ueuA:
22.5		 3k5vA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 LEU A  14
VAL A  65
ILE A  79
MET A  84
 ACP  A1264 ( 4.5A)
None
None
None
 0.65A 3k5vA-4ueuA:
22.5		 3k5vA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.74A 3k5vB-4k33A:
25.3		 3k5vB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.81A 3k5vB-4k33A:
25.3		 3k5vB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.11A 3k5vB-4ueuA:
32.2		 3k5vB-4ueuA:
62.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 3jvv TWITCHING MOBILITY
PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 130
SER A 134
ALA A 278
ALA A 279
CYH A 319
 None
ACP  A 400 (-3.5A)
ACP  A 400 (-3.4A)
None
None
 1.02A 3keeA-3jvvA:
undetectable		 3keeA-3jvvA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.42A 3lpsA-4x9lA:
12.4		 3lpsA-4x9lA:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 SER A  40
ASP A  42
ASP A  81
ASP A 144
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
None
ACP  A 301 (-3.8A)
 1.15A 3lpsA-4x9lA:
12.4		 3lpsA-4x9lA:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 12 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
ACP  A 301 (-3.8A)
 0.80A 3lpsA-4x9lA:
12.4		 3lpsA-4x9lA:
25.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
GLY A 479
VAL A 486
ALA A 506
LYS A 508
TYR A 557
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
None
 0.70A 3lxkA-4k33A:
33.9		 3lxkA-4k33A:
35.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
GLY A 479
VAL A 486
ALA A 506
ILE A 539
TYR A 557
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.4A)
 0.49A 3lxnA-4k33A:
26.0		 3lxnA-4k33A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
GLY A 479
VAL A 486
ALA A 506
LYS A 508
ILE A 539
TYR A 557
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
None
 0.34A 3lxnA-4k33A:
26.0		 3lxnA-4k33A:
35.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 10 GLY A  14
ALA A  18
ASN A  21
ILE A 194
ILE A 137
 ACP  A 301 (-3.2A)
None
None
None
None
 0.96A 3lzvA-4e09A:
undetectable		 3lzvA-4e09A:
15.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 11 ALA A  35
LYS A  37
VAL A  65
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.61A 3miyA-4ueuA:
33.1		 3miyA-4ueuA:
48.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 9 ALA A  35
LYS A  37
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.58A 3miyB-4ueuA:
33.1		 3miyB-4ueuA:
48.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.83A 3ms9A-4k33A:
26.5		 3ms9A-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.09A 3ms9A-4ueuA:
32.3		 3ms9A-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.85A 3ms9B-4k33A:
26.2		 3ms9B-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.82A 3ms9B-4k33A:
26.2		 3ms9B-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.11A 3ms9B-4ueuA:
32.3		 3ms9B-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.83A 3mssA-4k33A:
26.6		 3mssA-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
 1.09A 3mssA-4ueuA:
32.5		 3mssA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.59A 3mssB-4k33A:
26.4		 3mssB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.64A 3mssB-4k33A:
26.4		 3mssB-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.82A 3mssC-4k33A:
26.5		 3mssC-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.62A 3mssC-4k33A:
26.5		 3mssC-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
 1.11A 3mssC-4ueuA:
32.4		 3mssC-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.90A 3mssD-4k33A:
26.4		 3mssD-4k33A:
37.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
ALA A  35
GLU A  52
MET A  56
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 1.16A 3mssD-4ueuA:
32.5		 3mssD-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 VAL A  22
LYS A  37
VAL A  65
ILE A  79
 ACP  A1264 (-4.7A)
None
None
None
 0.67A 3mssD-4ueuA:
32.5		 3mssD-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 6 VAL A  22
VAL A  65
ILE A  79
MET A  84
 ACP  A1264 (-4.7A)
None
None
None
 0.66A 3mssD-4ueuA:
32.5		 3mssD-4ueuA:
62.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 11 PRO A  40
ASP A  39
LEU A  44
VAL A  19
ALA A  18
 None
ACP  A 301 (-3.9A)
None
None
None
 1.31A 3n23C-4e09A:
undetectable		 3n23C-4e09A:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		 5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE
(Arabidopsis
thaliana) 		5 / 10 ILE A 374
ALA A 362
LEU A 485
LEU A 483
VAL A 460
 ACP  A 904 (-4.3A)
None
None
None
None
 1.03A 3o02A-5ksdA:
undetectable
3o02B-5ksdA:
undetectable		 3o02A-5ksdA:
16.26
3o02B-5ksdA:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.68A 3octA-4k33A:
31.7		 3octA-4k33A:
35.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.86A 3octA-4ueuA:
32.4		 3octA-4ueuA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.52A 3octA-4ueuA:
32.4		 3octA-4ueuA:
50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.78A 3oezA-4k33A:
25.1		 3oezA-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
MET A  56
VAL A  65
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.91A 3oezA-4ueuA:
34.0		 3oezA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
TYR A  83
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
 0.70A 3oezA-4ueuA:
34.0		 3oezA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
MET A  56
VAL A  65
THR A  81
TYR A  83
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
 0.73A 3oezA-4ueuA:
34.0		 3oezA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.54A 3oezA-4ueuA:
34.0		 3oezA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.71A 3oezB-4k33A:
25.3		 3oezB-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
ILE A  79
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.82A 3oezB-4ueuA:
34.0		 3oezB-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
MET A  56
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.99A 3oezB-4ueuA:
34.0		 3oezB-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 VAL A  22
ALA A  35
LYS A  37
THR A  81
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
 0.71A 3og7A-4ueuA:
27.9		 3og7A-4ueuA:
35.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_1
(P38A)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 GLY A  15
VAL A  22
ALA A  35
LYS A  37
THR A  81
LEU A 136
 ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
 1.02A 3ohtA-4ueuA:
17.2		 3ohtA-4ueuA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_B_1N1B1000_1
(P38A)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 12 GLY A 479
VAL A 486
ALA A 506
LYS A 508
ILE A 539
 ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
 0.51A 3ohtB-4k33A:
5.4		 3ohtB-4k33A:
27.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
None
None
 0.80A 3oxzA-4k33A:
26.4		 3oxzA-4k33A:
36.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 ALA A  35
GLU A  52
LEU A  64
VAL A  65
THR A  81
GLY A  87
HIS A 127
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
None
None
 0.92A 3oxzA-4ueuA:
32.2		 3oxzA-4ueuA:
64.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 ALA A  35
GLU A  52
MET A  56
LEU A  64
THR A  81
GLY A  87
HIS A 127
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
None
None
 1.05A 3oxzA-4ueuA:
32.2		 3oxzA-4ueuA:
64.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
ILE A  79
MET A  84
ARG A 128
LEU A 136
VAL A 145
 ACP  A1264 ( 4.5A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.86A 3oxzA-4ueuA:
32.2		 3oxzA-4ueuA:
64.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
LYS A  37
ILE A  79
ARG A 128
LEU A 136
VAL A 145
 ACP  A1264 ( 4.5A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.99A 3oxzA-4ueuA:
32.2		 3oxzA-4ueuA:
64.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
GLY A 561
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
None
 0.89A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
MET A 529
ILE A 532
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.70A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
ILE A 532
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.80A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
 0.62A 3pyyA-4k33A:
26.3		 3pyyA-4k33A:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
THR A  81
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
 1.08A 3pyyA-4ueuA:
32.8		 3pyyA-4ueuA:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.76A 3pyyB-4k33A:
26.3		 3pyyB-4k33A:
39.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.05A 3pyyB-4ueuA:
32.1		 3pyyB-4ueuA:
61.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.70A 3qlgA-4k33A:
25.3		 3qlgA-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.76A 3qlgA-4k33A:
25.3		 3qlgA-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		12 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.69A 3qlgA-4ueuA:
34.9		 3qlgA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.59A 3qlgB-4k33A:
26.3		 3qlgB-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.63A 3qlgB-4ueuA:
35.4		 3qlgB-4ueuA:
62.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		5 / 10 ALA Y 412
LEU Y 418
ALA Y 379
THR Y 339
VAL Y 336
 ACP  Y 601 (-3.9A)
None
None
None
None
 1.21A 3r9cA-1gllY:
undetectable		 3r9cA-1gllY:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 VAL A 486
ALA A 506
GLU A 525
ILE A 539
TYR A 557
ALA A 558
LEU A 608
HIS A 615
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-3.7A)
None
None
None
 1.03A 3rgfA-4k33A:
17.2		 3rgfA-4k33A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
TYR A  83
LEU A 120
HIS A 127
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.5A)
None
None
None
 1.03A 3rgfA-4ueuA:
21.5		 3rgfA-4ueuA:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		4 / 8 ASP A 706
ASP A 351
GLY A 354
ARG A 559
 MG  A1005 ( 4.7A)
ACP  A1001 ( 2.3A)
MG  A1005 ( 4.6A)
ACP  A1001 (-3.2A)
 1.01A 3s3nA-3tlmA:
undetectable		 3s3nA-3tlmA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA
(Aquifex
aeolicus) 		3 / 3 GLY A 122
GLY A 124
THR A 126
 ACP  A 700 (-3.3A)
ACP  A 700 (-3.1A)
MG  A 400 ( 2.9A)
 0.45A 3si7B-2hcbA:
6.1		 3si7B-2hcbA:
24.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.49A 3sxrA-4k33A:
32.6		 3sxrA-4k33A:
34.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
MET A  56
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.53A 3sxrA-4ueuA:
33.7		 3sxrA-4ueuA:
52.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.49A 3sxrB-4k33A:
32.4		 3sxrB-4k33A:
34.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
MET A  56
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.57A 3sxrB-4ueuA:
33.3		 3sxrB-4ueuA:
52.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 4zdk CTP SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 11 VAL A 295
PHE A 329
PHE A  85
ILE A 256
LEU A 291
 None
None
None
ACP  A 602 (-4.7A)
None
 1.13A 3t3rA-4zdkA:
undetectable		 3t3rA-4zdkA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLY A 414
ARG A 452
GLY A 530
ARG A 408
ASP A 412
 ACP  A 601 (-3.4A)
None
None
None
ACP  A 601 (-3.7A)
 1.19A 3tkaA-4xivA:
undetectable		 3tkaA-4xivA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.49A 3uboA-5c41A:
32.3		 3uboA-5c41A:
27.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 GLY A  52
GLY A  53
ASN A  57
GLU A 154
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.99A 3uboA-5c41A:
32.3		 3uboA-5c41A:
27.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UE4_A_DB8A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
ALA A  35
LYS A  37
VAL A  65
ILE A  79
THR A  81
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.49A 3ue4A-4ueuA:
34.8		 3ue4A-4ueuA:
64.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
MET A  56
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.66A 3ue4B-4ueuA:
34.9		 3ue4B-4ueuA:
64.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.33A 3ue4B-4ueuA:
34.9		 3ue4B-4ueuA:
64.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  84
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.63A 3ug2A-4ueuA:
31.9		 3ug2A-4ueuA:
35.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.49A 3uq6A-5c41A:
33.1		 3uq6A-5c41A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 ASP A  27
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.47A 3uq6B-5c41A:
32.1		 3uq6B-5c41A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.52A 3vaqA-5c41A:
32.9		 3vaqA-5c41A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 ASP A  27
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.48A 3vaqB-5c41A:
31.9		 3vaqB-5c41A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.47A 3vasA-5c41A:
32.9		 3vasA-5c41A:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.43A 3vasB-5c41A:
32.0		 3vasB-5c41A:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		3 / 3 ASP B 485
ARG B 400
LYS B 506
 MG  B 803 (-4.7A)
ACP  B 801 (-3.1A)
ACP  B 801 ( 4.8A)
 0.95A 3wipG-4oavB:
undetectable		 3wipG-4oavB:
15.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
VAL A 555
GLY A 561
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 ( 4.6A)
 0.68A 3wzdA-4k33A:
29.2		 3wzdA-4k33A:
51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 5 LYS A  37
ILE A  55
VAL A  65
LEU A 136
 None
None
None
ACP  A1264 ( 4.8A)
 0.79A 3wzdA-4ueuA:
30.8		 3wzdA-4ueuA:
40.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
ILE A 532
VAL A 555
GLY A 561
LEU A 608
HIS A 615
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
ACP  A 801 ( 4.6A)
None
None
 0.72A 3wzeA-4k33A:
26.6		 3wzeA-4k33A:
51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
ALA A  35
MET A  84
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.51A 3zbfA-4ueuA:
33.3		 3zbfA-4ueuA:
41.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
LEU A 608
HIS A 615
ARG A 616
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
None
ACP  A 801 (-4.4A)
None
 1.00A 3zosA-4k33A:
30.4		 3zosA-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
THR A  81
HIS A 127
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.96A 3zosA-4ueuA:
30.1		 3zosA-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 ALA A 506
LYS A 508
GLU A 525
ILE A 539
LEU A 608
HIS A 615
ARG A 616
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
None
None
ACP  A 801 (-4.4A)
None
 1.01A 3zosB-4k33A:
6.3		 3zosB-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
GLU A  52
THR A  81
HIS A 127
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.94A 3zosB-4ueuA:
30.1		 3zosB-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 9 LEU A 478
MET A 529
ILE A 538
TYR A 557
ILE A 633
 ACP  A 801 (-3.8A)
None
None
None
None
 0.67A 3zosB-4k33A:
6.1		 3zosB-4k33A:
34.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5iuj SENSOR HISTIDINE
KINASE DESK
(Bacillus
subtilis) 		4 / 8 VAL A 318
TYR A 266
VAL A 294
ILE A 253
 None
None
ACP  A 401 ( 4.0A)
None
 1.15A 4aftD-5iujA:
undetectable
4aftE-5iujA:
undetectable		 4aftD-5iujA:
19.92
4aftE-5iujA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
VAL A 555
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.63A 4ag8A-4k33A:
35.3		 4ag8A-4k33A:
52.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.88A 4ag8A-4ueuA:
31.2		 4ag8A-4ueuA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
VAL A 555
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.63A 4agcA-4k33A:
25.9		 4agcA-4k33A:
51.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 11 LEU A 478
ALA A 506
VAL A 555
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-4.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.49A 4agdA-4k33A:
34.2		 4agdA-4k33A:
51.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 11 ALA B 390
VAL B 418
VAL B 434
CYH B 437
LEU B 492
 ACP  B 801 (-3.2A)
None
ACP  B 801 (-4.8A)
ACP  B 801 (-4.5A)
ACP  B 801 (-4.5A)
 0.55A 4agdA-4oavB:
17.0		 4agdA-4oavB:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 11 LEU A  14
ALA A  35
LYS A  37
VAL A  65
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.77A 4agdA-4ueuA:
30.2		 4agdA-4ueuA:
37.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
ALA A 506
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.64A 4anqA-4k33A:
25.2		 4anqA-4k33A:
37.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 9 LEU A  14
VAL A  22
ALA A  35
MET A  84
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.48A 4anqA-4ueuA:
32.3		 4anqA-4ueuA:
39.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
ALA A 506
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.66A 4ansA-4k33A:
32.2		 4ansA-4k33A:
37.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 9 LEU A  14
VAL A  22
ALA A  35
MET A  84
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.48A 4ansA-4ueuA:
32.2		 4ansA-4ueuA:
39.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
VAL A 555
GLY A 561
LEU A 608
HIS A 615
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 ( 4.6A)
None
None
 0.81A 4asdA-4k33A:
34.9		 4asdA-4k33A:
51.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 539
TYR A 557
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
ACP  A 801 (-4.4A)
None
 1.01A 4bkjA-4k33A:
25.3		 4bkjA-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
MET A 529
ILE A 539
TYR A 557
ALA A 634
ASP A 635
 ACP  A 801 (-3.3A)
None
None
None
None
MG  A 802 ( 3.0A)
 0.73A 4bkjA-4k33A:
25.3		 4bkjA-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 539
TYR A 557
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
None
 0.84A 4bkjA-4k33A:
25.3		 4bkjA-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
GLU A  52
ILE A  55
MET A  56
THR A  81
TYR A  83
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
 1.01A 4bkjA-4ueuA:
29.8		 4bkjA-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
ILE A  55
MET A  56
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.07A 4bkjA-4ueuA:
29.8		 4bkjA-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 539
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.88A 4bkjB-4k33A:
26.9		 4bkjB-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 539
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
 0.75A 4bkjB-4k33A:
26.9		 4bkjB-4k33A:
34.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
ILE A  55
MET A  56
THR A  81
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
None
 1.11A 4bkjB-4ueuA:
29.8		 4bkjB-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
ILE A  55
MET A  56
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.11A 4bkjB-4ueuA:
29.8		 4bkjB-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BKJ_B_STIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 5 LYS A  37
LEU A  59
TYR A  83
MET A  84
ARG A 128
 None
None
ACP  A1264 ( 4.5A)
None
None
 1.28A 4bkjB-4ueuA:
29.8		 4bkjB-4ueuA:
39.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4c5n PHOSPHOMETHYLPYRIMID
INE KINASE
(Staphylococcus
aureus) 		9 / 11 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 210
CYH A 214
 PXL  A 300 (-3.9A)
PXL  A 300 (-4.3A)
PXL  A 300 ( 4.0A)
PXL  A 300 (-3.6A)
PXL  A 300 ( 4.5A)
PXL  A 300 ( 4.2A)
None
ACP  A 500 (-4.3A)
PXL  A 300 ( 2.9A)
 0.26A 4c5lA-4c5nA:
46.2		 4c5lA-4c5nA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4c5n PHOSPHOMETHYLPYRIMID
INE KINASE
(Staphylococcus
aureus) 		9 / 9 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 210
CYH A 214
 PXL  A 300 (-3.9A)
PXL  A 300 (-4.3A)
PXL  A 300 ( 4.0A)
PXL  A 300 (-3.6A)
PXL  A 300 ( 4.5A)
PXL  A 300 ( 4.2A)
None
ACP  A 500 (-4.3A)
PXL  A 300 ( 2.9A)
 0.17A 4c5lB-4c5nA:
48.2		 4c5lB-4c5nA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4c5n PHOSPHOMETHYLPYRIMID
INE KINASE
(Staphylococcus
aureus) 		9 / 10 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 210
CYH A 214
 PXL  A 300 (-3.9A)
PXL  A 300 (-4.3A)
PXL  A 300 ( 4.0A)
PXL  A 300 (-3.6A)
PXL  A 300 ( 4.5A)
PXL  A 300 ( 4.2A)
None
ACP  A 500 (-4.3A)
PXL  A 300 ( 2.9A)
 0.26A 4c5lC-4c5nA:
48.1		 4c5lC-4c5nA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4c5n PHOSPHOMETHYLPYRIMID
INE KINASE
(Staphylococcus
aureus) 		9 / 10 GLY A  11
ASP A  13
ALA A  18
GLY A  19
VAL A  42
MET A  80
VAL A 107
HIS A 210
CYH A 214
 PXL  A 300 (-3.9A)
PXL  A 300 (-4.3A)
PXL  A 300 ( 4.0A)
PXL  A 300 (-3.6A)
PXL  A 300 ( 4.5A)
PXL  A 300 ( 4.2A)
None
ACP  A 500 (-4.3A)
PXL  A 300 ( 2.9A)
 0.21A 4c5lD-4c5nA:
47.8		 4c5lD-4c5nA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 ALA A  35
LYS A  37
GLU A  52
ILE A  79
THR A  81
HIS A 127
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.85A 4c8bA-4ueuA:
27.2		 4c8bA-4ueuA:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 5 VAL A 486
ILE A 538
TYR A 557
ILE A 633
 ACP  A 801 (-4.2A)
None
None
None
 0.45A 4c8bA-4k33A:
26.5		 4c8bA-4k33A:
30.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
LYS A 508
GLU A 525
ILE A 538
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.83A 4c8bB-4k33A:
26.2		 4c8bB-4k33A:
30.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
LYS A  37
THR A  81
HIS A 127
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.75A 4c8bB-4ueuA:
27.0		 4c8bB-4ueuA:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 10 LEU A 478
GLY A 479
GLY A 481
VAL A 486
ALA A 506
VAL A 555
TYR A 557
ALA A 558
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-4.7A)
None
ACP  A 801 (-3.7A)
ACP  A 801 (-4.4A)
 0.47A 4ckjA-4k33A:
32.0		 4ckjA-4k33A:
51.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 SER A  40
LEU A 251
GLY A  66
ALA A  72
SER A  75
 None
None
None
None
ACP  A 500 (-3.0A)
 1.10A 4coxA-6ci7A:
undetectable		 4coxA-6ci7A:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 SER A  40
LEU A 251
GLY A  66
ALA A  72
SER A  75
 None
None
None
None
ACP  A 500 (-3.0A)
 1.11A 4coxB-6ci7A:
undetectable		 4coxB-6ci7A:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 SER A  40
LEU A 251
GLY A  66
ALA A  72
SER A  75
 None
None
None
None
ACP  A 500 (-3.0A)
 1.11A 4coxD-6ci7A:
0.0		 4coxD-6ci7A:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 4mv3 BIOTIN CARBOXYLASE
(Haemophilus
influenzae) 		5 / 12 ARG A 338
GLU A 241
LEU A 308
GLU A 211
ASN A 290
 BCT  A 503 (-3.5A)
None
None
None
ACP  A 501 (-3.9A)
 1.47A 4cpzB-4mv3A:
undetectable		 4cpzB-4mv3A:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
TYR A 557
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.78A 4csvA-4k33A:
26.2		 4csvA-4k33A:
38.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 VAL A  22
ALA A  35
GLU A  52
ILE A  55
MET A  56
VAL A  65
THR A  81
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.89A 4csvA-4ueuA:
35.8		 4csvA-4ueuA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 ASP A  27
GLY A  52
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.57A 4dc3A-5c41A:
31.8		 4dc3A-5c41A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		6 / 12 ASP A  12
GLY A  25
GLY A  26
LEU A  89
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
None
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 1.25A 4dc3B-4xf7A:
22.9		 4dc3B-4xf7A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.52A 4dc3B-5c41A:
32.8		 4dc3B-5c41A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE
(Arabidopsis
thaliana) 		3 / 3 LYS A 330
THR A 331
ILE A 374
 ACP  A 904 ( 4.8A)
ACP  A 904 (-3.4A)
ACP  A 904 (-4.3A)
 0.91A 4e0fB-5ksdA:
undetectable		 4e0fB-5ksdA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		6 / 12 ASP A  12
GLY A  25
GLY A  26
THR A 215
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 0.71A 4e3aB-4xf7A:
24.4		 4e3aB-4xf7A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 5c41 RIBOKINASE
(Homo
sapiens) 		7 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLU A 154
GLY A 266
ASP A 269
 None
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 1.04A 4e3aB-5c41A:
33.2		 4e3aB-5c41A:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 5c41 RIBOKINASE
(Homo
sapiens) 		7 / 12 GLY A  52
GLY A  53
ASN A  57
GLU A 154
THR A 265
GLY A 266
ASP A 269
 None
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 1.02A 4e3aB-5c41A:
33.2		 4e3aB-5c41A:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4amf PHOX
(Pseudomonas
fluorescens) 		4 / 8 ASP A 494
ASP A  66
ASN A 195
GLU A 273
 CA  A1594 (-2.6A)
EDO  A1598 ( 3.7A)
ACP  A1589 (-3.4A)
FEO  A1595 ( 2.4A)
 1.01A 4feuD-4amfA:
undetectable		 4feuD-4amfA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
THR A  81
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.64A 4hjoA-4ueuA:
29.7		 4hjoA-4ueuA:
35.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		3 / 3 ASP A 600
ARG A 677
THR A 357
 None
ACP  A1001 (-3.3A)
None
 0.64A 4i13A-3tlmA:
undetectable		 4i13A-3tlmA:
9.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
GLY A  15
VAL A  22
ALA A  35
LYS A  37
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.71A 4i22A-4ueuA:
28.5		 4i22A-4ueuA:
35.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAR_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		4 / 7 ILE Y 313
THR Y 380
SER Y 329
ASP Y 409
 ACP  Y 601 (-3.9A)
None
ACP  Y 601 (-3.0A)
None
 1.18A 4iarA-1gllY:
undetectable		 4iarA-1gllY:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 11 GLN A 236
ALA A 237
ALA A 241
THR A 245
LEU A  35
 IOD  A 307 ( 4.7A)
None
None
ACP  A 302 (-3.8A)
None
 0.84A 4j6cA-4xf7A:
undetectable		 4j6cA-4xf7A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 10 GLN A 236
ALA A 237
ALA A 241
THR A 245
LEU A  35
 IOD  A 307 ( 4.7A)
None
None
ACP  A 302 (-3.8A)
None
 0.85A 4j6cB-4xf7A:
undetectable		 4j6cB-4xf7A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 12 GLN A 236
ALA A 237
ALA A 241
THR A 245
LEU A  35
 IOD  A 307 ( 4.7A)
None
None
ACP  A 302 (-3.8A)
None
 0.86A 4jbtA-4xf7A:
undetectable		 4jbtA-4xf7A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 4amf PHOX
(Pseudomonas
fluorescens) 		4 / 6 GLU A 194
GLU A 273
ARG A 385
GLU A 387
 FEO  A1595 ( 2.5A)
FEO  A1595 ( 2.4A)
ACP  A1589 (-2.8A)
CA  A1593 ( 2.3A)
 1.37A 4kr3A-4amfA:
undetectable		 4kr3A-4amfA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA
(Aquifex
aeolicus) 		3 / 3 HIS A 127
VAL A 143
LEU A  79
 ACP  A 700 (-3.9A)
None
None
 0.62A 4m2vA-2hcbA:
undetectable		 4m2vA-2hcbA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		 1tz6 PUTATIVE SUGAR
KINASE
(Salmonella
enterica) 		5 / 8 ASP A 158
VAL A   9
TYR A 126
SER A 128
GLY A  11
 ACP  A 401 (-3.4A)
None
None
None
None
 1.47A 4m48A-1tz6A:
undetectable		 4m48A-1tz6A:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.69A 4mkcA-4k33A:
32.7		 4mkcA-4k33A:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		 4mv3 BIOTIN CARBOXYLASE
(Haemophilus
influenzae) 		6 / 7 LYS A 238
ASN A 290
ARG A 292
VAL A 295
GLU A 296
ARG A 338
 BCT  A 503 ( 3.8A)
ACP  A 501 (-3.9A)
BCT  A 503 (-2.7A)
BCT  A 503 (-3.8A)
BCT  A 503 (-3.4A)
BCT  A 503 (-3.5A)
 0.35A 4mv7A-4mv3A:
65.5		 4mv7A-4mv3A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		 4mv3 BIOTIN CARBOXYLASE
(Haemophilus
influenzae) 		6 / 7 LYS A 238
ASN A 290
GLN A 294
VAL A 295
GLU A 296
ARG A 338
 BCT  A 503 ( 3.8A)
ACP  A 501 (-3.9A)
BCT  A 503 (-4.3A)
BCT  A 503 (-3.8A)
BCT  A 503 (-3.4A)
BCT  A 503 (-3.5A)
 0.69A 4mv7A-4mv3A:
65.5		 4mv7A-4mv3A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		3 / 3 ARG A 140
ASP A 134
ARG A  85
 INS  A 301 (-2.7A)
MG  A 303 ( 4.0A)
ACP  A 302 (-2.9A)
 0.98A 4mx0A-4xf7A:
undetectable		 4mx0A-4xf7A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
MG  A 802 ( 3.0A)
 0.90A 4mxoA-4k33A:
26.5		 4mxoA-4k33A:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
ILE A  79
THR A  81
GLY A  87
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
 0.66A 4mxoA-4ueuA:
36.7		 4mxoA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
 0.57A 4mxoA-4ueuA:
36.7		 4mxoA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
ILE A  79
THR A  81
GLY A  87
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
 0.65A 4mxoA-4ueuA:
36.7		 4mxoA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
ILE A  79
THR A  81
TYR A  83
GLY A  87
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
 0.53A 4mxoA-4ueuA:
36.7		 4mxoA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.63A 4mxoB-4ueuA:
36.8		 4mxoB-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.58A 4mxoB-4ueuA:
36.8		 4mxoB-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
ILE A  79
THR A  81
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.68A 4mxoB-4ueuA:
36.8		 4mxoB-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.60A 4mxoB-4ueuA:
36.8		 4mxoB-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.93A 4mxxA-4k33A:
26.2		 4mxxA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.66A 4mxxA-4ueuA:
36.4		 4mxxA-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
VAL A  65
THR A  81
TYR A  83
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.56A 4mxxB-4ueuA:
34.1		 4mxxB-4ueuA:
62.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
TYR A 557
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.92A 4mxyA-4k33A:
27.7		 4mxyA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
TYR A  83
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.67A 4mxyA-4ueuA:
36.1		 4mxyA-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
LYS A  37
GLU A  52
ILE A  79
TYR A  83
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.77A 4mxyA-4ueuA:
36.1		 4mxyA-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
TYR A 557
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.79A 4mxyB-4k33A:
27.5		 4mxyB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
TYR A 557
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.73A 4mxyB-4k33A:
27.5		 4mxyB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
TYR A  83
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.67A 4mxyB-4ueuA:
36.8		 4mxyB-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
TYR A  83
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.59A 4mxyB-4ueuA:
36.8		 4mxyB-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
TYR A 557
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.92A 4mxzA-4k33A:
27.7		 4mxzA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
TYR A  83
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.67A 4mxzA-4ueuA:
36.1		 4mxzA-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
LYS A  37
GLU A  52
ILE A  79
TYR A  83
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.77A 4mxzA-4ueuA:
36.1		 4mxzA-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
TYR A 557
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.79A 4mxzB-4k33A:
27.5		 4mxzB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
TYR A 557
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.73A 4mxzB-4k33A:
27.5		 4mxzB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
VAL A  65
TYR A  83
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.67A 4mxzB-4ueuA:
36.8		 4mxzB-4ueuA:
61.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
TYR A  83
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.59A 4mxzB-4ueuA:
36.8		 4mxzB-4ueuA:
61.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 ASP A  27
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.46A 4n09A-5c41A:
29.7		 4n09A-5c41A:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.54A 4n09B-5c41A:
32.5		 4n09B-5c41A:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.55A 4n09C-5c41A:
32.3		 4n09C-5c41A:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		6 / 12 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.55A 4n09D-5c41A:
32.4		 4n09D-5c41A:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		4 / 8 ALA Y 373
ASP Y 325
ILE Y 323
ILE Y 313
 None
None
None
ACP  Y 601 (-3.9A)
 0.93A 4ndnD-1gllY:
undetectable		 4ndnD-1gllY:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 4amf PHOX
(Pseudomonas
fluorescens) 		4 / 6 GLU A 554
ASP A 479
ASN A 404
ARG A 385
 None
CA  A1592 (-2.1A)
ACP  A1589 ( 4.7A)
ACP  A1589 (-2.8A)
 1.03A 4ntxA-4amfA:
undetectable
4ntxC-4amfA:
undetectable		 4ntxA-4amfA:
19.90
4ntxC-4amfA:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 11 LEU A 478
GLY A 479
VAL A 486
ALA A 506
LYS A 508
ASN A 622
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
 0.61A 4o0sA-4k33A:
21.4		 4o0sA-4k33A:
27.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		4 / 6 ALA B 390
LYS B 392
THR B 440
LEU B 492
 ACP  B 801 (-3.2A)
ACP  B 801 (-2.8A)
ACP  B 801 (-4.1A)
ACP  B 801 (-4.5A)
 0.78A 4o0uA-4oavB:
17.2		 4o0uA-4oavB:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0W_A_ADNA501_1
(AURORA KINASE A)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 6 LEU A 478
GLY A 479
VAL A 486
ALA A 506
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-4.4A)
 0.37A 4o0wA-4k33A:
20.3		 4o0wA-4k33A:
26.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLY A 414
ALA A 410
GLY A 451
LEU A 432
GLY A 530
 ACP  A 998 (-3.4A)
ACP  A 998 (-4.1A)
None
None
None
 0.92A 4o3fA-1i5aA:
undetectable		 4o3fA-1i5aA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLY A 414
ALA A 410
GLY A 451
LEU A 432
GLY A 530
 ACP  A 601 (-3.4A)
ACP  A 601 ( 4.3A)
None
None
None
 0.86A 4o3fA-4xivA:
undetectable		 4o3fA-4xivA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4ayx ATP-BINDING CASSETTE
SUB-FAMILY B MEMBER
10
(Homo
sapiens) 		4 / 6 GLY A 527
ILE A 509
ILE A 709
LEU A 686
 None
ACP  A 900 (-4.8A)
None
None
 0.78A 4o8fB-4ayxA:
1.4		 4o8fB-4ayxA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 8 ILE B 371
ALA B 390
ASN B 490
LEU B 492
ASP B 503
 ACP  B 801 (-4.2A)
ACP  B 801 (-3.2A)
MG  B 802 ( 2.5A)
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
 0.55A 4ogrA-4oavB:
19.1		 4ogrA-4oavB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 7 ALA B 390
CYH B 437
ASN B 490
LEU B 492
ASP B 503
 ACP  B 801 (-3.2A)
ACP  B 801 (-4.5A)
MG  B 802 ( 2.5A)
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
 0.35A 4ogrE-4oavB:
18.8		 4ogrE-4oavB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 9 ILE B 371
ALA B 390
CYH B 437
ASN B 490
LEU B 492
ASP B 503
 ACP  B 801 (-4.2A)
ACP  B 801 (-3.2A)
ACP  B 801 (-4.5A)
MG  B 802 ( 2.5A)
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
 0.58A 4ogrI-4oavB:
19.0		 4ogrI-4oavB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 5epv BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE
(Brucella
abortus) 		5 / 9 ALA A 394
ALA A 389
LEU A 385
SER A 461
VAL A 429
 None
ACP  A 501 ( 4.4A)
None
None
ACP  A 501 ( 4.2A)
 1.31A 4or0A-5epvA:
2.1		 4or0A-5epvA:
16.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTI_A_MI1A1001_1
(SERINE/THREONINE-PRO
TEIN KINASE N1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
GLY A 479
GLY A 484
VAL A 486
ALA A 506
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-4.4A)
None
 0.56A 4otiA-4k33A:
3.1		 4otiA-4k33A:
30.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
LYS A 508
TYR A 557
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.89A 4otwA-4k33A:
27.3		 4otwA-4k33A:
31.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
LYS A  37
VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.67A 4otwA-4ueuA:
28.5		 4otwA-4ueuA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  65
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 0.92A 4otwA-4ueuA:
28.5		 4otwA-4ueuA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		3 / 3 ASP A 600
ARG A 677
THR A 357
 None
ACP  A1001 (-3.3A)
None
 0.64A 4p3rA-3tlmA:
undetectable		 4p3rA-3tlmA:
9.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_K_HCYK900_1
(GLUCOCORTICOID
RECEPTOR)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 12 MET A  78
GLY A  64
GLN A 255
THR A  20
ILE A  24
 ACP  A 500 (-4.6A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 4.9A)
ACP  A 500 ( 3.9A)
None
 1.02A 4p6xK-6ci7A:
undetectable		 4p6xK-6ci7A:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q5M_A_ROCA1101_1
(PROTEASE)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 12 GLY A  14
ASN A  21
ILE A 194
ILE A 137
ILE A 154
 ACP  A 301 (-3.2A)
None
None
None
None
 0.92A 4q5mA-4e09A:
undetectable		 4q5mA-4e09A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
TYR A 557
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.53A 4qmnA-4k33A:
13.4		 4qmnA-4k33A:
28.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMN_A_DB8A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
GLU A  52
ILE A  79
TYR A  83
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.91A 4qmnA-4ueuA:
28.7		 4qmnA-4ueuA:
28.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 11 ALA A 506
LYS A 508
GLU A 525
TYR A 557
LEU A 624
ASP A 635
 ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.85A 4qmsA-4k33A:
17.8		 4qmsA-4k33A:
28.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 11 ALA A  35
LYS A  37
ILE A  79
TYR A  83
LEU A 136
ASP A 147
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
None
 0.67A 4qmsA-4ueuA:
28.4		 4qmsA-4ueuA:
28.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
VAL A 555
ARG A 616
ALA A 634
ASP A 635
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
None
None
MG  A 802 ( 3.0A)
 1.23A 4qrcA-4k33A:
29.6		 4qrcA-4k33A:
77.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
MET A 529
VAL A 555
LEU A 608
ARG A 616
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
None
None
None
 0.75A 4qrcA-4k33A:
29.6		 4qrcA-4k33A:
77.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
GLU B 404
VAL B 434
LEU B 475
ALA B 502
 ACP  B 801 (-3.2A)
None
ACP  B 801 (-4.8A)
None
None
 0.99A 4qrcA-4oavB:
17.7		 4qrcA-4oavB:
18.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 ALA A  35
GLU A  52
MET A  56
LEU A 120
ALA A 146
 ACP  A1264 (-2.9A)
None
None
None
None
 1.02A 4qrcA-4ueuA:
30.9		 4qrcA-4ueuA:
39.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_D_ACTD201_0
(RETINOL-BINDING
PROTEIN 2)		 2pun METHYLTHIORIBOSE
KINASE
(Bacillus
subtilis) 		3 / 3 ASP A 116
HIS A  48
LYS A  56
 ACP  A 999 (-4.6A)
None
None
 0.90A 4qzuD-2punA:
undetectable		 4qzuD-2punA:
15.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
LEU A 624
ASP A 635
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.75A 4r7iA-4k33A:
28.6		 4r7iA-4k33A:
48.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
LEU A 624
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.4A)
 0.52A 4r7iA-4k33A:
28.6		 4r7iA-4k33A:
48.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
LEU A 136
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
 0.89A 4r7iA-4ueuA:
31.4		 4r7iA-4ueuA:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 5 LEU A 478
VAL A 553
TYR A 557
ARG A 616
 ACP  A 801 (-3.8A)
None
None
None
 0.66A 4r7iA-4k33A:
28.6		 4r7iA-4k33A:
48.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 5 LEU A  14
VAL A  65
TYR A  83
ARG A 128
 ACP  A1264 ( 4.5A)
None
ACP  A1264 ( 4.5A)
None
 1.02A 4r7iA-4ueuA:
31.4		 4r7iA-4ueuA:
36.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 10 ILE B 371
ALA B 390
LYS B 392
LEU B 436
LEU B 492
 ACP  B 801 (-4.2A)
ACP  B 801 (-3.2A)
ACP  B 801 (-2.8A)
ACP  B 801 ( 4.9A)
ACP  B 801 (-4.5A)
 0.72A 4rz7A-4oavB:
16.4		 4rz7A-4oavB:
23.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 ALA A  35
LYS A  37
ILE A  79
THR A  81
SER A  88
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-4.3A)
 0.58A 4rzvA-4ueuA:
11.4		 4rzvA-4ueuA:
36.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_A_032A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 ALA A  35
LYS A  37
THR A  81
SER A  88
PHE A 148
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-4.3A)
None
 0.92A 4rzvA-4ueuA:
11.4		 4rzvA-4ueuA:
36.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
LYS A  37
THR A  81
SER A  88
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-4.3A)
None
 1.02A 4rzvB-4ueuA:
26.5		 4rzvB-4ueuA:
36.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLY A 561
ASN A 622
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.66A 4twpA-4k33A:
29.6		 4twpA-4k33A:
38.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.78A 4twpA-4k33A:
29.6		 4twpA-4k33A:
38.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.57A 4twpA-4ueuA:
34.5		 4twpA-4ueuA:
66.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
LYS A  37
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.70A 4twpA-4ueuA:
34.5		 4twpA-4ueuA:
66.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
LYS A  37
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.65A 4twpA-4ueuA:
34.5		 4twpA-4ueuA:
66.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
GLY A 561
ASN A 622
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.55A 4twpB-4k33A:
29.5		 4twpB-4k33A:
38.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.62A 4twpB-4ueuA:
35.1		 4twpB-4ueuA:
66.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.74A 4twpB-4ueuA:
35.1		 4twpB-4ueuA:
66.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
VAL A 555
ALA A 558
CYH A 613
LEU A 624
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
ACP  A 801 (-4.4A)
 0.85A 4tyjA-4k33A:
30.1		 4tyjA-4k33A:
74.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
VAL A 555
ALA A 558
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
ACP  A 801 (-4.4A)
None
 0.56A 4tyjA-4k33A:
30.1		 4tyjA-4k33A:
74.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
MET A 529
ILE A 532
VAL A 555
ALA A 558
HIS A 615
ALA A 634
ASP A 635
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
MG  A 802 ( 3.0A)
 0.96A 4tyjA-4k33A:
30.1		 4tyjA-4k33A:
74.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 12 ALA B 390
GLU B 404
VAL B 434
CYH B 479
LEU B 492
ALA B 502
 ACP  B 801 (-3.2A)
None
ACP  B 801 (-4.8A)
None
ACP  B 801 (-4.5A)
None
 1.25A 4tyjA-4oavB:
17.7		 4tyjA-4oavB:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
VAL B 434
HIS B 483
LEU B 492
ALA B 502
 ACP  B 801 (-3.2A)
ACP  B 801 (-4.8A)
None
ACP  B 801 (-4.5A)
None
 0.65A 4tyjA-4oavB:
17.7		 4tyjA-4oavB:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
GLU A  52
MET A  56
HIS A 127
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.8A)
None
None
 1.04A 4tyjA-4ueuA:
31.4		 4tyjA-4ueuA:
41.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 6 LEU A 478
VAL A 486
ILE A 538
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
None
None
 0.40A 4tyjA-4k33A:
30.1		 4tyjA-4k33A:
74.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 6 LEU A 478
VAL A 486
LYS A 508
ILE A 538
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
 0.57A 4tyjA-4k33A:
30.1		 4tyjA-4k33A:
74.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 10 LEU A 478
VAL A 486
GLU A 525
ILE A 538
VAL A 553
TYR A 557
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 ( 4.8A)
None
None
None
None
 0.50A 4u0iA-4k33A:
34.3		 4u0iA-4k33A:
49.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 10 VAL A 486
ILE A 538
VAL A 553
TYR A 557
ARG A 616
ILE A 633
 ACP  A 801 (-4.2A)
None
None
None
None
None
 0.85A 4u0iA-4k33A:
34.3		 4u0iA-4k33A:
49.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
GLU A  52
LEU A  59
VAL A  65
TYR A  83
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
ACP  A1264 ( 4.5A)
 0.83A 4u0iA-4ueuA:
31.4		 4u0iA-4ueuA:
38.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
GLU A  52
VAL A  65
TYR A  83
ARG A 128
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 ( 4.5A)
None
 0.86A 4u0iA-4ueuA:
31.4		 4u0iA-4ueuA:
38.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 12 ALA B 390
LYS B 392
LEU B 408
CYH B 437
HIS B 483
LEU B 492
 ACP  B 801 (-3.2A)
ACP  B 801 (-2.8A)
None
ACP  B 801 (-4.5A)
None
ACP  B 801 (-4.5A)
 0.59A 4u0iA-4oavB:
17.4		 4u0iA-4oavB:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
LYS A  37
THR A  81
GLY A  87
HIS A 127
LEU A 136
ASP A 147
 ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.78A 4u0iA-4ueuA:
31.4		 4u0iA-4ueuA:
38.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 11 LEU A 478
GLY A 481
VAL A 486
ALA A 506
TYR A 557
GLY A 561
ASN A 622
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.60A 4u5jA-4k33A:
26.9		 4u5jA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 11 LEU A 478
GLY A 484
VAL A 486
ALA A 506
TYR A 557
GLY A 561
ASN A 622
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
MG  A 802 ( 2.4A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.86A 4u5jA-4k33A:
26.9		 4u5jA-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 11 LEU A  14
VAL A  22
ALA A  35
TYR A  83
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
None
 0.53A 4u5jA-4ueuA:
36.6		 4u5jA-4ueuA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 9 LEU A 478
ALA A 506
TYR A 557
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.68A 4u5jB-4k33A:
26.5		 4u5jB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 9 LEU A 478
VAL A 486
ALA A 506
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.65A 4u5jB-4k33A:
26.5		 4u5jB-4k33A:
35.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 9 LEU A  14
VAL A  22
ALA A  35
TYR A  83
MET A  84
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.50A 4u5jB-4ueuA:
35.5		 4u5jB-4ueuA:
62.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 11 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.50A 4urnA-4x9lA:
12.7		 4urnA-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 11 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
ACP  A 301 (-3.8A)
 0.84A 4urnA-4x9lA:
12.7		 4urnA-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_B_NOVB2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 11 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.54A 4urnB-4x9lA:
11.9		 4urnB-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 11 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.54A 4urnC-4x9lA:
12.3		 4urnC-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 4x9l HEAT SHOCK PROTEIN
(Oryza
sativa) 		5 / 11 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
ACP  A 301 (-3.8A)
 0.83A 4urnC-4x9lA:
12.3		 4urnC-4x9lA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 MN  A 996 ( 2.8A)
ACP  A 998 (-3.7A)
None
ACP  A 998 (-4.3A)
ACP  A 998 (-3.8A)
 1.07A 4uroD-1i5aA:
5.5		 4uroD-1i5aA:
25.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 ASN A 409
ASP A 449
ARG A 452
ILE A 454
THR A 531
 ACP  A 601 (-2.9A)
ACP  A 601 (-3.8A)
None
ACP  A 601 ( 4.6A)
ACP  A 601 (-3.9A)
 1.03A 4uroD-4xivA:
3.7		 4uroD-4xivA:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
GLU A 525
VAL A 555
LEU A 608
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
None
ACP  A 801 (-4.4A)
None
 0.71A 4uxqA-4k33A:
30.1		 4uxqA-4k33A:
74.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
VAL A 555
LEU A 608
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-4.7A)
None
None
ACP  A 801 (-4.4A)
None
 0.61A 4uxqA-4k33A:
30.1		 4uxqA-4k33A:
74.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 ALA A  35
LEU A 120
HIS A 127
LEU A 136
ALA A 146
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.8A)
None
 0.57A 4uxqA-4ueuA:
31.2		 4uxqA-4ueuA:
41.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 7 VAL A 486
LYS A 508
MET A 529
ILE A 539
 ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
None
 0.54A 4uxqA-4k33A:
30.1		 4uxqA-4k33A:
74.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UXQ_A_0LIA1752_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 7 VAL A 486
MET A 529
ILE A 539
ALA A 558
ARG A 616
ILE A 633
 ACP  A 801 (-4.2A)
None
None
ACP  A 801 (-3.7A)
None
None
 1.16A 4uxqA-4k33A:
30.1		 4uxqA-4k33A:
74.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 ALA A 506
GLU A 525
MET A 528
MET A 529
ILE A 532
VAL A 555
ALA A 558
LEU A 608
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
 0.69A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 ALA A 506
GLU A 525
MET A 529
ILE A 532
VAL A 555
ALA A 558
LEU A 608
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 0.69A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
MET A 529
ILE A 532
VAL A 555
ALA A 558
HIS A 615
ALA A 634
ASP A 635
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
MG  A 802 ( 3.0A)
 0.99A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
VAL B 434
LEU B 475
HIS B 483
ALA B 502
 ACP  B 801 (-3.2A)
ACP  B 801 (-4.8A)
None
None
None
 0.82A 4v01A-4oavB:
17.2		 4v01A-4oavB:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
GLU A  52
MET A  56
LEU A 120
HIS A 127
ALA A 146
 ACP  A1264 (-2.9A)
None
None
None
None
None
 1.07A 4v01A-4ueuA:
30.1		 4v01A-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
ILE A 539
TYR A 557
ARG A 616
LEU A 624
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
None
None
None
ACP  A 801 (-4.4A)
None
 0.80A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
ILE A 539
TYR A 557
CYH A 613
LEU A 624
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
None
None
None
ACP  A 801 (-4.4A)
None
 0.48A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
LYS A 508
ILE A 539
TYR A 557
ARG A 616
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
None
None
None
 0.96A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
LYS A 508
ILE A 539
TYR A 557
CYH A 613
ILE A 538
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
None
None
None
 1.37A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 9 LEU A 478
VAL A 486
LYS A 508
ILE A 539
TYR A 557
CYH A 613
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
None
None
None
 0.69A 4v01A-4k33A:
27.0		 4v01A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
VAL A  22
LYS A  37
TYR A  83
ARG A 128
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
ACP  A1264 ( 4.5A)
None
ACP  A1264 ( 4.8A)
 0.96A 4v01A-4ueuA:
30.1		 4v01A-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
GLU A 525
MET A 529
VAL A 555
ALA A 558
LEU A 608
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 0.66A 4v01B-4k33A:
26.9		 4v01B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
MET A 528
MET A 529
VAL A 555
ALA A 558
LEU A 608
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 0.79A 4v01B-4k33A:
26.9		 4v01B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
MET A 528
MET A 529
VAL A 555
LEU A 608
CYH A 613
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.7A)
None
None
 1.25A 4v01B-4k33A:
26.9		 4v01B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
MET A 529
VAL A 555
ALA A 558
HIS A 615
ALA A 634
ASP A 635
 ACP  A 801 (-3.3A)
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
MG  A 802 ( 3.0A)
 0.98A 4v01B-4k33A:
26.9		 4v01B-4k33A:
80.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
VAL B 434
LEU B 475
HIS B 483
ALA B 502
 ACP  B 801 (-3.2A)
ACP  B 801 (-4.8A)
None
None
None
 0.73A 4v01B-4oavB:
17.6		 4v01B-4oavB:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
GLU A  52
MET A  56
HIS A 127
ALA A 146
ASP A 147
 ACP  A1264 (-2.9A)
None
None
None
None
None
 1.06A 4v01B-4ueuA:
30.8		 4v01B-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
GLU A  52
MET A  56
LEU A 120
HIS A 127
ALA A 146
 ACP  A1264 (-2.9A)
None
None
None
None
None
 0.94A 4v01B-4ueuA:
30.8		 4v01B-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 9 LEU A 478
VAL A 486
LYS A 508
ILE A 532
ILE A 539
TYR A 557
LEU A 624
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
None
None
ACP  A 801 (-4.4A)
None
 0.56A 4v01B-4k33A:
26.9		 4v01B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
VAL A  22
LYS A  37
ILE A  55
TYR A  83
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 1.09A 4v01B-4ueuA:
30.8		 4v01B-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 9 LEU A  14
VAL A  22
LYS A  37
TYR A  83
ARG A 128
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
ACP  A1264 ( 4.5A)
None
ACP  A1264 ( 4.8A)
 0.59A 4v01B-4ueuA:
30.8		 4v01B-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
VAL A 555
ALA A 558
HIS A 615
ALA A 634
ASP A 635
GLY A 637
 ACP  A 801 (-3.3A)
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
MG  A 802 ( 3.0A)
None
 1.36A 4v04A-4k33A:
29.3		 4v04A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 528
VAL A 555
ALA A 558
LEU A 608
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
 0.82A 4v04A-4k33A:
29.3		 4v04A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 VAL A 486
ALA A 506
GLU A 525
VAL A 555
ALA A 558
HIS A 615
ALA A 634
GLY A 637
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 1.26A 4v04A-4k33A:
29.3		 4v04A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 VAL A 486
ALA A 506
GLU A 525
VAL A 555
ALA A 558
LEU A 608
HIS A 615
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 0.70A 4v04A-4k33A:
29.3		 4v04A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
GLU A  52
HIS A 127
ALA A 146
ASP A 147
GLY A 149
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
None
 1.36A 4v04A-4ueuA:
30.3		 4v04A-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 8 LYS A 508
MET A 529
ILE A 539
TYR A 557
 ACP  A 801 (-2.7A)
None
None
None
 0.54A 4v04A-4k33A:
29.3		 4v04A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 8 MET A 529
ILE A 539
TYR A 557
ARG A 616
LEU A 624
ILE A 633
 None
None
None
None
ACP  A 801 (-4.4A)
None
 1.20A 4v04A-4k33A:
29.3		 4v04A-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 8 LYS A  37
MET A  56
TYR A  83
LEU A 136
 None
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 0.73A 4v04A-4ueuA:
30.3		 4v04A-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 10 LEU A 478
VAL A 486
LYS A 508
MET A 529
ILE A 539
TYR A 557
ARG A 616
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
None
None
None
None
 1.09A 4v04B-4k33A:
29.3		 4v04B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 10 LEU A 478
VAL A 486
MET A 529
ILE A 539
TYR A 557
ARG A 616
LEU A 624
ILE A 633
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
None
None
None
None
ACP  A 801 (-4.4A)
None
 1.03A 4v04B-4k33A:
29.3		 4v04B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
LYS A  37
MET A  56
TYR A  83
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 0.88A 4v04B-4ueuA:
30.7		 4v04B-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
LYS A  37
TYR A  83
ARG A 128
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
ACP  A1264 ( 4.5A)
None
ACP  A1264 ( 4.8A)
 1.06A 4v04B-4ueuA:
30.7		 4v04B-4ueuA:
41.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 ALA A 506
GLU A 525
MET A 528
VAL A 555
ALA A 558
LEU A 608
HIS A 615
ALA A 634
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 0.93A 4v04B-4k33A:
29.3		 4v04B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
GLU A 525
VAL A 555
ALA A 558
HIS A 615
ALA A 634
GLY A 637
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
None
 1.33A 4v04B-4k33A:
29.3		 4v04B-4k33A:
80.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
VAL A 555
ALA A 558
HIS A 615
ALA A 634
ASP A 635
GLY A 637
 ACP  A 801 (-3.3A)
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
None
None
MG  A 802 ( 3.0A)
None
 1.37A 4v04B-4k33A:
29.3		 4v04B-4k33A:
80.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		5 / 12 ALA B 390
VAL B 434
LEU B 475
HIS B 483
ALA B 502
 ACP  B 801 (-3.2A)
ACP  B 801 (-4.8A)
None
None
None
 0.89A 4v04B-4oavB:
17.7		 4v04B-4oavB:
19.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
GLU A  52
HIS A 127
ALA A 146
ASP A 147
GLY A 149
 ACP  A1264 (-2.9A)
None
None
None
None
None
 1.38A 4v04B-4ueuA:
30.7		 4v04B-4ueuA:
41.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5N_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		4 / 4 TYR A 172
THR A  17
GLY A  14
LEU A 136
 ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
ACP  A 301 (-3.2A)
None
 1.49A 4w5nA-4e09A:
4.0		 4w5nA-4e09A:
12.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 11 LEU A  14
ALA A  35
LYS A  37
MET A  84
GLY A  87
ASN A 134
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.99A 4wa9A-4ueuA:
29.9		 4wa9A-4ueuA:
64.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 11 LEU A  14
ALA A  35
THR A  81
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.48A 4wa9A-4ueuA:
29.9		 4wa9A-4ueuA:
64.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
LYS A  37
THR A  81
MET A  84
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
None
ACP  A1264 ( 4.8A)
None
 0.82A 4wa9B-4ueuA:
33.7		 4wa9B-4ueuA:
64.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
THR A  81
MET A  84
GLY A  87
ASN A 134
LEU A 136
ALA A 146
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
None
 0.65A 4wa9B-4ueuA:
33.7		 4wa9B-4ueuA:
64.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 6 ARG A  12
LEU A  14
ALA A  35
MET A  84
LEU A 136
 None
ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.8A)
 0.93A 4wboC-4ueuA:
23.6		 4wboC-4ueuA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_J_CHDJ103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		 6ci7 YCAO
(Methanopyrus
kandleri) 		5 / 11 LEU A 164
ARG A 248
LEU A 321
GLU A 156
LEU A 317
 None
ACP  A 500 (-3.1A)
None
None
None
 1.15A 4wg0J-6ci7A:
undetectable
4wg0K-6ci7A:
undetectable
4wg0L-6ci7A:
undetectable		 4wg0J-6ci7A:
undetectable
4wg0K-6ci7A:
undetectable
4wg0L-6ci7A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.60A 4wkqA-4k33A:
35.0		 4wkqA-4k33A:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.72A 4wkqA-4ueuA:
32.1		 4wkqA-4ueuA:
35.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
MET A  56
THR A  81
GLY A  87
ASP A  91
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
None
ACP  A1264 ( 4.8A)
 0.72A 4wkqA-4ueuA:
32.1		 4wkqA-4ueuA:
35.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
MET A 529
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.77A 4xeyA-4k33A:
30.7		 4xeyA-4k33A:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  56
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.76A 4xeyA-4ueuA:
34.4		 4xeyA-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.57A 4xeyA-4ueuA:
34.4		 4xeyA-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
LYS A 508
MET A 529
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.63A 4xeyB-4k33A:
35.1		 4xeyB-4k33A:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
ILE A  79
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.53A 4xeyB-4ueuA:
33.6		 4xeyB-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
MET A  56
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.74A 4xeyB-4ueuA:
33.6		 4xeyB-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
ALA A  35
LYS A  37
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.45A 4xeyB-4ueuA:
33.6		 4xeyB-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
ILE A  79
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.49A 4xeyB-4ueuA:
33.6		 4xeyB-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
MET A  56
THR A  81
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.75A 4xeyB-4ueuA:
33.6		 4xeyB-4ueuA:
48.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
VAL A  65
ILE A  79
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.35A 4xeyB-4ueuA:
33.6		 4xeyB-4ueuA:
48.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		4 / 8 ASP A 702
ASP A 351
ASP A 706
ILE A 686
 MG  A1005 (-2.2A)
ACP  A1001 ( 2.3A)
MG  A1005 ( 4.7A)
None
 1.05A 4xjeA-3tlmA:
undetectable		 4xjeA-3tlmA:
10.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.61A 4xliA-4k33A:
29.8		 4xliA-4k33A:
39.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		8 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.87A 4xliA-4k33A:
29.8		 4xliA-4k33A:
39.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		11 / 12 LEU A  14
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
TYR A  83
MET A  84
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.61A 4xliA-4ueuA:
36.1		 4xliA-4ueuA:
66.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
TYR A  83
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.68A 4xliA-4ueuA:
36.1		 4xliA-4ueuA:
66.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 LEU A 478
ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.68A 4xliB-4k33A:
31.3		 4xliB-4k33A:
39.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		12 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.54A 4xliB-4ueuA:
36.2		 4xliB-4ueuA:
66.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP6_A_B40A601_1
(TRANSPORTER)		 4c5n PHOSPHOMETHYLPYRIMID
INE KINASE
(Staphylococcus
aureus) 		4 / 5 ASP A  13
VAL A 107
ASP A 105
GLY A 213
 PXL  A 300 (-4.3A)
None
None
ACP  A 500 (-3.3A)
 0.86A 4xp6A-4c5nA:
undetectable		 4xp6A-4c5nA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XPB_A_COCA702_1
(TRANSPORTER)		 1tz6 PUTATIVE SUGAR
KINASE
(Salmonella
enterica) 		5 / 10 ASP A 158
VAL A   9
TYR A 126
SER A 128
GLY A  11
 ACP  A 401 (-3.4A)
None
None
None
None
 1.50A 4xpbA-1tz6A:
0.0		 4xpbA-1tz6A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 12 ALA B 390
LYS B 392
LEU B 408
CYH B 437
ASP B 503
PHE B 504
 ACP  B 801 (-3.2A)
ACP  B 801 (-2.8A)
None
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
None
 0.89A 4xv2B-4oavB:
17.2		 4xv2B-4oavB:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 LEU A 406
ILE A 454
VAL A 488
PHE A 487
MET A 507
 None
ACP  A 998 (-4.3A)
None
None
ACP  A 998 (-3.7A)
 1.15A 4y0pA-1i5aA:
0.0		 4y0pA-1i5aA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 VAL A 533
ILE A 454
VAL A 488
PHE A 487
MET A 507
 None
ACP  A 998 (-4.3A)
None
None
ACP  A 998 (-3.7A)
 0.96A 4y0pA-1i5aA:
0.0		 4y0pA-1i5aA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 VAL A 533
ILE A 454
VAL A 488
PHE A 487
MET A 507
 None
ACP  A 601 ( 4.6A)
None
None
ACP  A 601 (-4.2A)
 0.96A 4y0pA-4xivA:
undetectable		 4y0pA-4xivA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 4mv3 BIOTIN CARBOXYLASE
(Haemophilus
influenzae) 		4 / 6 ILE A 158
HIS A 236
ILE A 287
VAL A 131
 None
ACP  A 501 ( 3.9A)
ACP  A 501 ( 4.3A)
ACP  A 501 ( 4.5A)
 1.01A 4zj8A-4mv3A:
undetectable		 4zj8A-4mv3A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJO_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4amf PHOX
(Pseudomonas
fluorescens) 		5 / 12 ASN A 195
ASP A 479
GLU A 194
GLU A 273
THR A 534
 ACP  A1589 (-3.4A)
CA  A1592 (-2.1A)
FEO  A1595 ( 2.5A)
FEO  A1595 ( 2.4A)
None
 1.45A 4zjoA-4amfA:
undetectable		 4zjoA-4amfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJO_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4amf PHOX
(Pseudomonas
fluorescens) 		5 / 12 ASN A 195
ASP A 479
GLU A 273
GLU A 194
GLU A 387
 ACP  A1589 (-3.4A)
CA  A1592 (-2.1A)
FEO  A1595 ( 2.4A)
FEO  A1595 ( 2.5A)
CA  A1593 ( 2.3A)
 1.48A 4zjoA-4amfA:
undetectable		 4zjoA-4amfA:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 9 LEU A 478
VAL A 486
ALA A 506
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.67A 5aaaA-4k33A:
32.6		 5aaaA-4k33A:
38.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 9 LEU A  14
VAL A  22
ALA A  35
MET A  84
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.43A 5aaaA-4ueuA:
32.5		 5aaaA-4ueuA:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 10 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLY A 561
LEU A 624
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
MG  A 802 ( 3.0A)
 0.80A 5aabA-4k33A:
32.4		 5aabA-4k33A:
38.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 10 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  84
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.56A 5aabA-4ueuA:
32.5		 5aabA-4ueuA:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 10 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  84
GLY A  87
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.63A 5aacA-4ueuA:
32.2		 5aacA-4ueuA:
40.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 LEU A 478
ALA A 506
GLY A 561
LEU A 624
ALA A 634
ASP A 635
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
MG  A 802 ( 3.0A)
 0.66A 5ajqA-4k33A:
18.7		 5ajqA-4k33A:
27.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
ALA A  35
LYS A  37
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 1.01A 5ajqA-4ueuA:
24.0		 5ajqA-4ueuA:
26.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
GLY A  15
ALA A  35
GLY A  87
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-2.9A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
None
 1.04A 5ajqA-4ueuA:
24.0		 5ajqA-4ueuA:
26.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AQF_A_ADNA1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 5oow CHAPERONE PROTEIN
DNAK
(Escherichia
coli) 		6 / 10 GLY A 197
GLY A 229
GLU A 267
LYS A 270
SER A 274
GLY A 342
 ACP  A 401 (-3.0A)
ACP  A 401 ( 3.7A)
ACP  A 401 (-2.9A)
ACP  A 401 (-2.6A)
ACP  A 401 (-2.3A)
ACP  A 401 (-3.4A)
 0.70A 5aqfA-5oowA:
4.8		 5aqfA-5oowA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AQF_C_ADNC1382_1
(HEAT SHOCK COGNATE
71 KDA PROTEIN)		 5oow CHAPERONE PROTEIN
DNAK
(Escherichia
coli) 		6 / 10 GLY A 197
GLY A 229
GLU A 267
LYS A 270
SER A 274
GLY A 342
 ACP  A 401 (-3.0A)
ACP  A 401 ( 3.7A)
ACP  A 401 (-2.9A)
ACP  A 401 (-2.6A)
ACP  A 401 (-2.3A)
ACP  A 401 (-3.4A)
 0.69A 5aqfC-5oowA:
4.9		 5aqfC-5oowA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AQY_A_ADNA1389_1
(HEAT SHOCK 70 KDA
PROTEIN 1A)		 5oow CHAPERONE PROTEIN
DNAK
(Escherichia
coli) 		6 / 10 GLY A 197
GLY A 229
GLU A 267
LYS A 270
SER A 274
GLY A 342
 ACP  A 401 (-3.0A)
ACP  A 401 ( 3.7A)
ACP  A 401 (-2.9A)
ACP  A 401 (-2.6A)
ACP  A 401 (-2.3A)
ACP  A 401 (-3.4A)
 0.71A 5aqyA-5oowA:
4.6		 5aqyA-5oowA:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3jvv TWITCHING MOBILITY
PROTEIN
(Pseudomonas
aeruginosa) 		4 / 6 ARG A 276
GLY A 133
SER A 134
LEU A 268
 ACP  A 400 (-3.5A)
ACP  A 400 (-3.9A)
ACP  A 400 (-3.5A)
ACP  A 400 (-4.6A)
 1.20A 5bphA-3jvvA:
undetectable		 5bphA-3jvvA:
23.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		11 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
ILE A 539
TYR A 557
GLY A 561
LEU A 624
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
None
 0.75A 5bvwA-4k33A:
26.6		 5bvwA-4k33A:
35.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.90A 5bvwA-4ueuA:
30.2		 5bvwA-4ueuA:
39.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
THR A  81
TYR A  83
GLY A  87
LEU A 136
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.85A 5bvwA-4ueuA:
30.2		 5bvwA-4ueuA:
39.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		4 / 8 ASP A 702
ASP A 351
ASP A 706
ILE A 686
 MG  A1005 (-2.2A)
ACP  A1001 ( 2.3A)
MG  A1005 ( 4.7A)
None
 1.05A 5cfsA-3tlmA:
undetectable		 5cfsA-3tlmA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 1g3r CELL DIVISION
INHIBITOR
(Pyrococcus
furiosus) 		5 / 12 LEU A  23
SER A  24
ILE A 197
VAL A 140
VAL A 169
 None
None
ACP  A 238 (-4.8A)
None
None
 1.08A 5dpdB-1g3rA:
undetectable		 5dpdB-1g3rA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 SER A 520
GLU A 515
VAL A 514
SER A 492
GLY A 490
 None
None
None
ACP  A 998 ( 3.7A)
None
 1.31A 5f9zB-1i5aA:
undetectable		 5f9zB-1i5aA:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ARG A  12
LEU A  14
VAL A  22
ALA A  35
THR A  81
GLY A  87
 None
ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
 0.72A 5h2uA-4ueuA:
30.2		 5h2uA-4ueuA:
52.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
VAL A  22
ALA A  35
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.58A 5h2uA-4ueuA:
30.2		 5h2uA-4ueuA:
52.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ARG A  12
LEU A  14
ALA A  35
ILE A  79
GLY A  87
LEU A 136
 None
ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.64A 5h2uC-4ueuA:
30.3		 5h2uC-4ueuA:
52.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ARG A  12
LEU A  14
ALA A  35
THR A  81
GLY A  87
LEU A 136
 None
ACP  A1264 ( 4.5A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.67A 5h2uC-4ueuA:
30.3		 5h2uC-4ueuA:
52.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
VAL A  22
ALA A  35
ILE A  79
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.43A 5h2uD-4ueuA:
30.5		 5h2uD-4ueuA:
52.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
VAL A  22
ALA A  35
THR A  81
GLY A  87
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.52A 5h2uD-4ueuA:
30.5		 5h2uD-4ueuA:
52.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
ILE A 539
ALA A 558
PHE A 636
GLY A 637
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.7A)
None
None
 1.15A 5hesA-4k33A:
10.1		 5hesA-4k33A:
29.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
ILE A 539
TYR A 557
ALA A 558
PHE A 636
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-3.7A)
None
 0.94A 5hesA-4k33A:
10.1		 5hesA-4k33A:
29.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
ILE A  79
THR A  81
TYR A  83
ASP A  91
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
 0.61A 5hesA-4ueuA:
14.0		 5hesA-4ueuA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
THR A  81
TYR A  83
ASP A  91
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
None
 0.91A 5hesA-4ueuA:
14.0		 5hesA-4ueuA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
LYS A 508
TYR A 557
ALA A 558
PHE A 636
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
None
ACP  A 801 (-3.7A)
None
 0.94A 5hesB-4k33A:
25.9		 5hesB-4k33A:
29.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
LYS A  37
ILE A  79
THR A  81
TYR A  83
ASP A  91
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
None
 0.78A 5hesB-4ueuA:
26.7		 5hesB-4ueuA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LYS A  37
GLU A  52
THR A  81
LEU A 120
HIS A 127
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
None
 0.81A 5hi2A-4ueuA:
28.5		 5hi2A-4ueuA:
36.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 VAL A  22
ALA A  35
LYS A  37
ILE A  79
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
 0.45A 5hieA-4ueuA:
26.4		 5hieA-4ueuA:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 VAL A  22
ALA A  35
LYS A  37
ILE A  79
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
 0.46A 5hieB-4ueuA:
26.6		 5hieB-4ueuA:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 GLY A  15
VAL A  22
ALA A  35
LYS A  37
THR A  81
 ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
 0.52A 5hieC-4ueuA:
26.9		 5hieC-4ueuA:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 VAL A  22
ALA A  35
LYS A  37
ILE A  79
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
 0.45A 5hieD-4ueuA:
26.7		 5hieD-4ueuA:
34.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1g3r CELL DIVISION
INHIBITOR
(Pyrococcus
furiosus) 		4 / 8 GLY A  15
PHE A 114
ASN A  45
ASP A 118
 ACP  A 238 (-3.0A)
None
None
MG  A 239 ( 4.1A)
 0.90A 5hieD-1g3rA:
0.0		 5hieD-1g3rA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1
(Bos
taurus) 		4 / 6 ARG A 559
ASP A 702
GLY A 354
ASP A 351
 ACP  A1001 (-3.2A)
MG  A1005 (-2.2A)
MG  A1005 ( 4.6A)
ACP  A1001 ( 2.3A)
 1.07A 5hp1A-3tlmA:
undetectable		 5hp1A-3tlmA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA301_1
(CHITOSANASE)		 5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE
(Arabidopsis
thaliana) 		4 / 8 ILE A 374
ASP A 375
GLY A 424
THR A 407
 ACP  A 904 (-4.3A)
ACP  A 904 (-3.4A)
ACP  A 904 ( 3.8A)
ACP  A 904 (-3.6A)
 1.02A 5hwaA-5ksdA:
undetectable		 5hwaA-5ksdA:
15.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 ALA A 506
GLU A 525
ILE A 539
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.66A 5i9xA-4k33A:
32.3		 5i9xA-4k33A:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
GLU A  52
ILE A  79
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.48A 5i9xA-4ueuA:
33.5		 5i9xA-4ueuA:
44.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 ALA A  35
LYS A  37
GLU A  52
ILE A  79
THR A  81
TYR A  83
LEU A 136
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 0.72A 5i9xA-4ueuA:
33.5		 5i9xA-4ueuA:
44.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 ALA A 506
LYS A 508
GLU A 525
MET A 529
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.79A 5i9yA-4k33A:
27.1		 5i9yA-4k33A:
33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
TYR A  83
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.53A 5i9yA-4ueuA:
32.9		 5i9yA-4ueuA:
44.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IL1_A_SAMA601_0
(METTL3)		 5xag TUBULIN TYROSINE
LIGASE
(Gallus
gallus) 		5 / 12 LEU F 295
SER F  76
GLU F 331
ARG F  73
GLY F 334
 None
None
ACP  F 402 (-3.5A)
None
None
 1.30A 5il1A-5xagF:
undetectable		 5il1A-5xagF:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 7 GLY A 479
GLY A 481
GLY A 484
VAL A 486
 ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
 0.34A 5izjB-4k33A:
18.8		 5izjB-4k33A:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 7 GLY A 479
GLY A 481
VAL A 486
LYS A 508
 ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
 0.31A 5izjA-4k33A:
14.3		 5izjA-4k33A:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 7 GLY A 479
GLY A 481
VAL A 486
LYS A 508
ASP A 635
 ACP  A 801 (-3.4A)
ACP  A 801 (-3.6A)
ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
MG  A 802 ( 3.0A)
 0.69A 5j5xA-4k33A:
18.6		 5j5xA-4k33A:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.18A 5kb5A-5c41A:
31.2		 5kb5A-5c41A:
27.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 THR A 235
GLY A 237
ALA A 267
GLY A 268
ALA A 298
 ACP  A 401 (-3.2A)
ACP  A 401 (-3.3A)
ACP  A 401 (-3.5A)
ACP  A 401 (-3.4A)
ACP  A 401 (-3.3A)
 0.36A 5kb6A-5c41A:
31.5		 5kb6A-5c41A:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 5c41 RIBOKINASE
(Homo
sapiens) 		5 / 12 THR A 235
GLY A 237
ALA A 267
GLY A 268
ALA A 298
 ACP  A 401 (-3.2A)
ACP  A 401 (-3.3A)
ACP  A 401 (-3.5A)
ACP  A 401 (-3.4A)
ACP  A 401 (-3.3A)
 0.33A 5kb6B-5c41A:
31.5		 5kb6B-5c41A:
28.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		5 / 12 LEU A  77
ASP A 219
GLY A 216
VAL A  10
LYS A  16
 INS  A 301 ( 4.8A)
INS  A 301 (-2.7A)
ACP  A 302 (-3.9A)
INS  A 301 ( 4.8A)
None
 1.33A 5kbwB-4xf7A:
undetectable		 5kbwB-4xf7A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 11 LEU A 478
GLY A 479
VAL A 486
ALA A 506
TYR A 557
ALA A 558
LEU A 624
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.7A)
ACP  A 801 (-4.4A)
 0.46A 5lvnA-4k33A:
20.9		 5lvnA-4k33A:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 9 GLY A 479
VAL A 486
ALA A 506
ILE A 539
ASN A 562
 ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.8A)
 0.36A 5lw1B-4k33A:
14.7		 5lw1B-4k33A:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 10 GLY A 479
VAL A 486
ALA A 506
ILE A 539
ASN A 562
 ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
None
ACP  A 801 (-3.8A)
 0.47A 5lw1E-4k33A:
15.4		 5lw1E-4k33A:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 GLY A 479
VAL A 486
ALA A 506
LYS A 508
GLU A 525
TYR A 557
GLY A 561
 ACP  A 801 (-3.4A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 ( 4.6A)
 0.72A 5mafA-4k33A:
26.0		 5mafA-4k33A:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 GLY A  15
VAL A  22
ALA A  35
LYS A  37
GLU A  52
TYR A  83
GLY A  87
 ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
 0.72A 5mafA-4ueuA:
26.5		 5mafA-4ueuA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		4 / 5 LEU B 408
CYH B 437
LEU B 492
ASP B 503
 None
ACP  B 801 (-4.5A)
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
 0.86A 5mafA-4oavB:
19.4		 5mafA-4oavB:
9.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 10 LEU A  14
VAL A  22
ILE A  79
MET A  84
GLY A  87
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
ACP  A1264 (-3.5A)
 0.63A 5mo4A-4ueuA:
9.4		 5mo4A-4ueuA:
37.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 10 LEU A  14
VAL A  22
LYS A  37
GLU A  52
ILE A  79
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
None
None
None
 0.58A 5mo4A-4ueuA:
9.4		 5mo4A-4ueuA:
37.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 506
ILE A 532
HIS A 615
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.4A)
None
 0.65A 5mo4A-4k33A:
26.1		 5mo4A-4k33A:
26.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		5 / 12 ALA A 506
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-3.3A)
None
None
ACP  A 801 (-4.4A)
None
 0.72A 5mo4A-4k33A:
26.1		 5mo4A-4k33A:
26.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		6 / 12 ALA B 390
LEU B 417
VAL B 418
HIS B 483
LEU B 492
ALA B 502
 ACP  B 801 (-3.2A)
None
None
None
ACP  B 801 (-4.5A)
None
 0.75A 5mo4A-4oavB:
14.0		 5mo4A-4oavB:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 ALA A  35
LEU A  64
VAL A  65
HIS A 127
LEU A 136
ALA A 146
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 ( 4.8A)
None
 0.46A 5mo4A-4ueuA:
9.4		 5mo4A-4ueuA:
37.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0S_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY
(Thermococcus
kodakarensis) 		4 / 4 GLY A 227
ALA A 224
MET A 258
THR A 245
 None
None
None
ACP  A 302 (-3.8A)
 1.49A 5n0sB-4xf7A:
undetectable		 5n0sB-4xf7A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 10 LEU A  14
VAL A  22
ALA A  35
VAL A  65
TYR A  83
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.8A)
 0.59A 5n3hA-4ueuA:
24.7		 5n3hA-4ueuA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		4 / 8 ALA B 390
CYH B 437
LEU B 492
ASP B 503
 ACP  B 801 (-3.2A)
ACP  B 801 (-4.5A)
ACP  B 801 (-4.5A)
MG  B 803 (-1.8A)
 0.38A 5owrA-4oavB:
17.6		 5owrA-4oavB:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
ILE A  79
THR A  81
GLY A  87
LEU A 136
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 (-4.5A)
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
None
 0.93A 5p9iA-4ueuA:
31.7		 5p9iA-4ueuA:
48.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 VAL A  22
ALA A  35
LYS A  37
ILE A  79
THR A  81
PHE A 148
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
None
 0.93A 5p9iA-4ueuA:
31.7		 5p9iA-4ueuA:
48.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA
(Aquifex
aeolicus) 		4 / 8 VAL A 276
PHE A  88
THR A 245
GLY A 124
 ACP  A 700 (-4.1A)
ACP  A 700 (-3.2A)
None
ACP  A 700 (-3.1A)
 1.00A 5v0vA-2hcbA:
undetectable		 5v0vA-2hcbA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
THR A  81
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
 0.78A 5vcyA-4ueuA:
25.2		 5vcyA-4ueuA:
25.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4oav PROTEIN (RNASE L)
(Homo
sapiens) 		4 / 4 VAL B 418
LEU B 436
ASN B 490
ASP B 503
 None
ACP  B 801 ( 4.9A)
MG  B 802 ( 2.5A)
MG  B 803 (-1.8A)
 0.88A 5vcyA-4oavB:
18.4		 5vcyA-4oavB:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 12 GLY A  85
GLY A  14
GLY A  11
PHE A 162
ILE A 102
 None
ACP  A 301 (-3.2A)
ACP  A 301 (-3.5A)
None
None
 0.90A 5vimA-4e09A:
undetectable		 5vimA-4e09A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_B_SAMB301_0
(METHYLTRANSFERASE)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		5 / 12 GLY A  85
GLY A  14
GLY A  11
PHE A 162
ILE A 102
 None
ACP  A 301 (-3.2A)
ACP  A 301 (-3.5A)
None
None
 0.88A 5vimB-4e09A:
undetectable		 5vimB-4e09A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4xiv CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLU A 416
GLY A 453
VAL A 369
GLY A 430
ILE A 415
 None
ACP  A 601 (-4.7A)
None
None
None
 1.16A 5vooD-4xivA:
undetectable		 5vooD-4xivA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1tz6 PUTATIVE SUGAR
KINASE
(Salmonella
enterica) 		4 / 5 ASN A 160
ASP A 252
ASN A  35
ASP A  16
 ACP  A 401 (-2.7A)
AIS  A 402 (-3.0A)
AIS  A 402 (-3.9A)
AIS  A 402 (-2.5A)
 1.12A 5vooE-1tz6A:
undetectable		 5vooE-1tz6A:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W7P_A_SAMA501_0
(OXAC)		 5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE
(Arabidopsis
thaliana) 		5 / 12 GLY A 602
SER A 616
LEU A 620
LEU A 625
ASP A 329
 None
None
None
None
ACP  A 904 ( 4.7A)
 1.21A 5w7pA-5ksdA:
undetectable		 5w7pA-5ksdA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 1i5a CHEMOTAXIS PROTEIN
CHEA
(Thermotoga
maritima) 		5 / 12 GLY A 430
GLY A 414
GLY A 451
GLU A 448
ALA A 410
 None
ACP  A 998 (-3.4A)
None
None
ACP  A 998 (-4.1A)
 1.20A 5x7fA-1i5aA:
undetectable		 5x7fA-1i5aA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 LEU A  14
GLY A  15
VAL A  22
ALA A  35
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
 0.49A 5xv7A-4ueuA:
23.3		 5xv7A-4ueuA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		5 / 12 LEU A  14
GLY A  15
VAL A  22
GLY A  87
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-3.5A)
None
 0.60A 5xv7A-4ueuA:
23.3		 5xv7A-4ueuA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)		 5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG
(Thermococcus
kodakarensis) 		5 / 10 LEU B 154
LEU B  35
LEU B  42
ALA B  41
LEU B  53
 None
ACP  B 301 (-3.9A)
None
None
None
 1.15A 5y7pB-5auoB:
undetectable		 5y7pB-5auoB:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_H_CHDH401_0
(BILE SALT HYDROLASE)		 5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG
(Thermococcus
kodakarensis) 		5 / 10 LEU B 154
LEU B  35
LEU B  42
ALA B  41
LEU B  53
 None
ACP  B 301 (-3.9A)
None
None
None
 1.16A 5y7pH-5auoB:
undetectable		 5y7pH-5auoB:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2pun METHYLTHIORIBOSE
KINASE
(Bacillus
subtilis) 		4 / 8 VAL A  46
LYS A  61
ILE A 249
ASP A 250
 ACP  A 999 (-4.6A)
ACP  A 999 (-2.9A)
None
MG  A 401 ( 2.8A)
 0.73A 5y9mA-2punA:
9.0		 5y9mA-2punA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9M_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2pun METHYLTHIORIBOSE
KINASE
(Bacillus
subtilis) 		4 / 8 VAL A  46
LYS A  61
ILE A 249
ASP A 250
 ACP  A 999 (-4.6A)
ACP  A 999 (-2.9A)
None
MG  A 401 ( 2.8A)
 0.68A 5y9mX-2punA:
9.2		 5y9mX-2punA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_B_NIOB401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2pun METHYLTHIORIBOSE
KINASE
(Bacillus
subtilis) 		4 / 7 VAL A  46
LYS A  61
ILE A 249
ASP A 250
 ACP  A 999 (-4.6A)
ACP  A 999 (-2.9A)
None
MG  A 401 ( 2.8A)
 0.74A 5yf9B-2punA:
9.1		 5yf9B-2punA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_A_1E8A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		6 / 12 LEU A  14
GLY A  15
VAL A  22
ALA A  35
LYS A  37
LEU A 136
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.8A)
 0.65A 5yu9A-4ueuA:
28.3		 5yu9A-4ueuA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		4 / 7 VAL A 486
LYS A 508
ILE A 539
ASP A 635
 ACP  A 801 (-4.2A)
ACP  A 801 (-2.7A)
None
MG  A 802 ( 3.0A)
 0.70A 5ywmX-4k33A:
9.8		 5ywmX-4k33A:
18.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 12 LEU A 478
GLY A 479
ALA A 506
GLU A 525
MET A 529
VAL A 555
TYR A 557
ALA A 558
GLY A 561
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
None
ACP  A 801 (-3.7A)
ACP  A 801 ( 4.6A)
None
 0.83A 5zv2A-4k33A:
29.9		 5zv2A-4k33A:
66.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 12 LEU A 478
VAL A 486
ALA A 506
GLU A 525
MET A 529
VAL A 555
TYR A 557
ALA A 558
GLY A 561
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
None
ACP  A 801 (-3.7A)
ACP  A 801 ( 4.6A)
None
 0.69A 5zv2A-4k33A:
29.9		 5zv2A-4k33A:
66.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
GLY A  15
ALA A  35
GLU A  52
MET A  56
TYR A  83
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 ( 4.2A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
None
 1.25A 5zv2A-4ueuA:
30.5		 5zv2A-4ueuA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
TYR A  83
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
None
 0.76A 5zv2A-4ueuA:
30.5		 5zv2A-4ueuA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
MET A  56
TYR A  83
GLY A  87
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
ACP  A1264 ( 4.5A)
ACP  A1264 (-3.5A)
None
 0.85A 5zv2A-4ueuA:
30.5		 5zv2A-4ueuA:
16.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 LEU A 478
GLY A 479
ALA A 506
ALA A 558
GLY A 561
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-3.4A)
ACP  A 801 (-3.3A)
ACP  A 801 (-3.7A)
ACP  A 801 ( 4.6A)
None
 0.64A 5zv2B-4k33A:
29.4		 5zv2B-4k33A:
66.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		10 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
VAL A 555
ALA A 558
GLY A 561
ALA A 634
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
ACP  A 801 (-4.7A)
ACP  A 801 (-3.7A)
ACP  A 801 ( 4.6A)
None
 0.73A 5zv2B-4k33A:
29.4		 5zv2B-4k33A:
66.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
 0.80A 5zv2B-4ueuA:
30.5		 5zv2B-4ueuA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
MET A  56
GLY A  87
ALA A 146
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-3.5A)
None
 0.91A 5zv2B-4ueuA:
30.5		 5zv2B-4ueuA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 4amf PHOX
(Pseudomonas
fluorescens) 		3 / 3 ARG A 223
ARG A 372
ARG A 294
 ACP  A1589 (-3.5A)
None
ACP  A1589 (-3.2A)
 0.97A 6bplA-4amfA:
undetectable
6bplB-4amfA:
undetectable		 6bplA-4amfA:
9.79
6bplB-4amfA:
9.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		5 / 12 VAL Y  30
VAL Y  19
GLY Y 410
THR Y  13
GLY Y  12
 None
None
ACP  Y 601 ( 4.2A)
ACP  Y 601 (-3.4A)
ACP  Y 601 (-2.9A)
 1.04A 6brdC-1gllY:
undetectable		 6brdC-1gllY:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		9 / 12 VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
ILE A 539
TYR A 557
GLY A 561
LEU A 624
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
None
ACP  A 801 ( 4.6A)
ACP  A 801 (-4.4A)
 0.78A 6bsdA-4k33A:
26.2		 6bsdA-4k33A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 ALA A  35
LYS A  37
GLU A  52
MET A  56
THR A  81
TYR A  83
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.92A 6bsdA-4ueuA:
29.9		 6bsdA-4ueuA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
THR A  81
TYR A  83
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.86A 6bsdA-4ueuA:
29.9		 6bsdA-4ueuA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
TYR A  83
MET A  84
LEU A 136
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 ( 4.5A)
None
ACP  A1264 ( 4.8A)
None
 1.32A 6bsdA-4ueuA:
29.9		 6bsdA-4ueuA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_F_EY4F500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4e09 PLASMID PARTITIONING
PROTEIN PARF
(Escherichia
coli) 		4 / 7 ALA A  25
THR A  24
ILE A 166
PRO A 104
 None
None
ACP  A 301 (-4.2A)
None
 0.70A 6cduF-4e09A:
undetectable
6cduJ-4e09A:
undetectable		 6cduF-4e09A:
21.05
6cduJ-4e09A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_2
(PROTEASE)		 1gll GLYCEROL KINASE
(Escherichia
coli) 		3 / 3 GLY Y  12
ASP Y  10
ILE Y  79
 ACP  Y 601 (-2.9A)
MG  Y 602 ( 3.7A)
None
 0.59A 6dgxB-1gllY:
0.0		 6dgxB-1gllY:
10.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FNM_A_1N1A1001_1
(-)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		10 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
ILE A  79
THR A  81
MET A  84
GLY A  87
LEU A 136
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
None
ACP  A1264 (-3.5A)
ACP  A1264 ( 4.8A)
 0.65A 6fnmA-4ueuA:
34.0		 6fnmA-4ueuA:
41.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)
(Candidatus
Korarchaeum
cryptofilum) 		4 / 6 LEU A 380
THR A 305
CYH A 382
GLY A 307
 None
None
None
ACP  A 502 (-3.5A)
 1.09A 6gtqB-4xz3A:
undetectable
6gtqD-4xz3A:
undetectable		 6gtqB-4xz3A:
16.03
6gtqD-4xz3A:
7.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.81A 6hd4A-4k33A:
30.8		 6hd4A-4k33A:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
ILE A 532
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
 0.50A 6hd4A-4k33A:
30.8		 6hd4A-4k33A:
15.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.07A 6hd4A-4ueuA:
32.2		 6hd4A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.88A 6hd4A-4ueuA:
32.2		 6hd4A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
ILE A  55
ILE A  79
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.17A 6hd4A-4ueuA:
32.2		 6hd4A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
None
None
 1.04A 6hd4A-4ueuA:
32.2		 6hd4A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
ILE A  79
THR A  81
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
None
None
 0.86A 6hd4A-4ueuA:
32.2		 6hd4A-4ueuA:
30.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 VAL A 486
ALA A 506
GLU A 525
MET A 529
ILE A 532
LEU A 624
ALA A 634
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 ( 4.8A)
None
None
ACP  A 801 (-4.4A)
None
 0.80A 6hd4B-4k33A:
25.4		 6hd4B-4k33A:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		6 / 12 VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
ILE A 532
 ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
 0.56A 6hd4B-4k33A:
25.4		 6hd4B-4k33A:
15.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.10A 6hd4B-4ueuA:
32.2		 6hd4B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.91A 6hd4B-4ueuA:
32.2		 6hd4B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 VAL A  22
ALA A  35
ILE A  55
ILE A  79
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.19A 6hd4B-4ueuA:
32.2		 6hd4B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
 0.95A 6hd4B-4ueuA:
32.2		 6hd4B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
ILE A  79
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
 0.80A 6hd4B-4ueuA:
32.2		 6hd4B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 1.07A 6hd6A-4ueuA:
22.4		 6hd6A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		9 / 12 VAL A  22
ALA A  35
GLU A  52
VAL A  65
ILE A  79
THR A  81
LEU A 136
ALA A 146
ASP A 147
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
None
 0.87A 6hd6A-4ueuA:
22.4		 6hd6A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
 0.87A 6hd6A-4ueuA:
22.4		 6hd6A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		7 / 12 VAL A  22
ALA A  35
LYS A  37
GLU A  52
VAL A  65
ILE A  79
THR A  81
 ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
 0.71A 6hd6A-4ueuA:
22.4		 6hd6A-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		4 / 5 LEU A  14
ILE A  55
MET A  84
GLY A  87
 ACP  A1264 ( 4.5A)
None
None
ACP  A1264 (-3.5A)
 0.84A 6hd6A-4ueuA:
22.4		 6hd6A-4ueuA:
30.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4k33 FIBROBLAST GROWTH
FACTOR RECEPTOR 3
(Homo
sapiens) 		7 / 12 LEU A 478
VAL A 486
ALA A 506
LYS A 508
GLU A 525
MET A 529
ILE A 532
 ACP  A 801 (-3.8A)
ACP  A 801 (-4.2A)
ACP  A 801 (-3.3A)
ACP  A 801 (-2.7A)
ACP  A 801 ( 4.8A)
None
None
 0.54A 6hd6B-4k33A:
30.3		 6hd6B-4k33A:
15.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
GLU A  52
MET A  56
VAL A  65
THR A  81
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
ACP  A1264 (-4.5A)
None
 1.04A 6hd6B-4ueuA:
32.0		 6hd6B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
LYS A  37
GLU A  52
MET A  56
VAL A  65
THR A  81
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
None
None
ACP  A1264 (-4.5A)
 0.91A 6hd6B-4ueuA:
32.0		 6hd6B-4ueuA:
30.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL
(synthetic
construct) 		8 / 12 LEU A  14
VAL A  22
ALA A  35
MET A  56
VAL A  65
THR A  81
LEU A 136
ASP A 147
 ACP  A1264 ( 4.5A)
ACP  A1264 (-4.7A)
ACP  A1264 (-2.9A)
None
None
ACP  A1264 (-4.5A)
ACP  A1264 ( 4.8A)
None
 1.05A 6hd6B-4ueuA:
32.0		 6hd6B-4ueuA:
30.86