SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qk4'

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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 GLY A 351
GLY A 384
SER A 341
GLY A 371
 None
GOL  A 804 (-3.6A)
None
None
 0.58A 1d0vA-2qk4A:
undetectable		 1d0vA-2qk4A:
24.04
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 GLY A 371
ASN A  36
GLY A  12
ASP A 295
VAL A 386
 None
 1.18A 1ffyA-2qk4A:
undetectable		 1ffyA-2qk4A:
19.33
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.
1HSH_C_MK1C402_2
(HIV-II PROTEASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 8 ALA A  18
GLY A  12
PRO A  74
ILE A   8
ILE A   7
 None
None
SO4  A 701 (-4.8A)
None
None
 1.15A 1hshD-2qk4A:
undetectable		 1hshD-2qk4A:
13.16
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 GLY A 351
GLY A 384
SER A 341
GLY A 371
 None
GOL  A 804 (-3.6A)
None
None
 0.57A 1jhaA-2qk4A:
undetectable		 1jhaA-2qk4A:
24.04
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.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 GLY A 351
GLY A 384
SER A 341
GLY A 371
 None
GOL  A 804 (-3.6A)
None
None
 0.57A 1jhqA-2qk4A:
undetectable		 1jhqA-2qk4A:
24.04
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 GLY A 351
GLY A 384
SER A 341
GLY A 371
 None
GOL  A 804 (-3.6A)
None
None
 0.56A 1jhvA-2qk4A:
undetectable		 1jhvA-2qk4A:
24.04
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 LEU A 302
ALA A 425
ALA A 239
LEU A 304
HIS A 218
 None
 1.38A 1kt5A-2qk4A:
undetectable		 1kt5A-2qk4A:
16.44
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 7 VAL A  83
LEU A 273
ALA A 101
LEU A  78
 None
 0.76A 1pthA-2qk4A:
undetectable		 1pthA-2qk4A:
21.04
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.
1PTH_B_SALB711_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 7 VAL A  83
LEU A 273
ALA A 101
LEU A  78
 None
 0.77A 1pthB-2qk4A:
undetectable		 1pthB-2qk4A:
21.04
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.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.87A 1v55N-2qk4A:
undetectable
1v55W-2qk4A:
undetectable		 1v55N-2qk4A:
22.52
1v55W-2qk4A:
9.84
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.
1XZX_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 ILE A   7
ILE A   8
ALA A  33
LEU A  86
HIS A  55
 None
 1.04A 1xzxX-2qk4A:
undetectable		 1xzxX-2qk4A:
21.77
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.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 9 TYR A 344
THR A 230
VAL A 338
GLY A 234
ILE A 416
 GOL  A 804 (-4.7A)
None
None
None
None
 1.26A 2a1oB-2qk4A:
undetectable		 2a1oB-2qk4A:
21.60
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 PHE A 428
GLU A 196
GLN A 216
TYR A 236
 None
 1.27A 2aoxA-2qk4A:
undetectable		 2aoxA-2qk4A:
22.39
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.
2H79_A_T3A1_1
(THRA PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 ILE A   7
ILE A   8
ALA A  33
LEU A  86
HIS A  55
 None
 0.96A 2h79A-2qk4A:
undetectable		 2h79A-2qk4A:
20.79
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.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 11 THR A 316
ILE A 313
GLY A 271
PHE A 293
ILE A 272
 None
 1.28A 2y7kA-2qk4A:
undetectable		 2y7kA-2qk4A:
20.93
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.
2Y7K_B_SALB1304_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 10 THR A 316
ILE A 313
PHE A 203
PHE A 293
ILE A 272
 None
 1.50A 2y7kB-2qk4A:
1.0		 2y7kB-2qk4A:
20.93
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.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 THR A 316
ILE A 313
GLY A 271
PHE A 293
ILE A 272
 None
 1.27A 2y7kC-2qk4A:
undetectable		 2y7kC-2qk4A:
20.93
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.
2Y7P_A_SALA1000_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 10 THR A 316
ILE A 313
GLY A 271
PHE A 293
ILE A 272
 None
 1.28A 2y7pA-2qk4A:
undetectable		 2y7pA-2qk4A:
20.93
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.
2Y7W_A_SALA1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 9 THR A 316
ILE A 313
GLY A 271
PHE A 293
ILE A 272
 None
 1.28A 2y7wA-2qk4A:
2.0		 2y7wA-2qk4A:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		6 / 8 ASP A 217
LYS A 219
ARG A 292
GLY A 294
PRO A 296
GLU A 297
 None
None
SO4  A 701 (-4.1A)
None
None
None
 1.06A 2ys6A-2qk4A:
51.9		 2ys6A-2qk4A:
49.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		6 / 8 ASP A 217
LYS A 219
TYR A 274
ARG A 292
GLY A 294
GLU A 297
 None
None
None
SO4  A 701 (-4.1A)
None
None
 1.22A 2ys6A-2qk4A:
51.9		 2ys6A-2qk4A:
49.46
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.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.89A 3abkA-2qk4A:
undetectable
3abkJ-2qk4A:
undetectable		 3abkA-2qk4A:
22.52
3abkJ-2qk4A:
9.84
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.
3ABL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.89A 3ablN-2qk4A:
undetectable
3ablW-2qk4A:
undetectable		 3ablN-2qk4A:
22.52
3ablW-2qk4A:
9.84
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.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.90A 3abmN-2qk4A:
undetectable
3abmW-2qk4A:
undetectable		 3abmN-2qk4A:
22.52
3abmW-2qk4A:
9.84
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.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.87A 3asoN-2qk4A:
undetectable
3asoW-2qk4A:
undetectable		 3asoN-2qk4A:
22.52
3asoW-2qk4A:
9.84
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.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 5 PRO A 345
THR A 336
VAL A 337
GLY A 234
 None
 1.11A 3elzA-2qk4A:
undetectable		 3elzA-2qk4A:
16.14
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 ILE A   7
ILE A   8
ALA A  33
LEU A  86
HIS A  55
 None
 0.95A 3gwsX-2qk4A:
undetectable		 3gwsX-2qk4A:
20.50
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 7 GLY A 384
GLY A 383
SER A 341
LEU A 387
PHE A 412
 GOL  A 804 (-3.6A)
GOL  A 804 ( 4.5A)
None
None
None
 1.36A 3o9mA-2qk4A:
2.0		 3o9mA-2qk4A:
22.29
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 ASP A 295
ALA A 370
ASN A  36
ILE A 421
ARG A 385
 None
None
None
None
GOL  A 804 (-4.2A)
 1.23A 3wemA-2qk4A:
undetectable		 3wemA-2qk4A:
18.03
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 ASP A 295
ALA A 370
ASN A  36
ILE A 421
ARG A 385
 None
None
None
None
GOL  A 804 (-4.2A)
 1.23A 3wenA-2qk4A:
undetectable		 3wenA-2qk4A:
18.03
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 ASP A 295
ALA A 370
ASN A  36
ILE A 421
ARG A 385
 None
None
None
None
GOL  A 804 (-4.2A)
 1.22A 3weoA-2qk4A:
undetectable		 3weoA-2qk4A:
18.03
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_2
(ADENOSINE KINASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 5 LEU A 103
ILE A 119
ALA A 275
MET A 114
 None
 0.98A 4dc3B-2qk4A:
3.9		 4dc3B-2qk4A:
23.69
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.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 9 PHE A 293
CYH A 298
PHE A  94
ILE A   7
 None
 1.37A 4jvlA-2qk4A:
undetectable		 4jvlA-2qk4A:
19.78
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 THR A  48
GLY A  35
ASN A  36
ILE A  52
SER A  51
 None
 1.33A 4pooB-2qk4A:
undetectable		 4pooB-2qk4A:
21.20
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 11 VAL A 146
LYS A 148
GLU A 190
LEU A 192
LEU A 193
 None
ATP  A 501 ( 3.8A)
ATP  A 501 (-3.5A)
ATP  A 501 ( 4.7A)
ATP  A 501 (-4.2A)
 0.54A 4zmeA-2qk4A:
1.1		 4zmeA-2qk4A:
23.09
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.
4ZME_B_ADNB902_1
(MYOSIN HEAVY CHAIN
KINASE A)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 10 VAL A 146
LYS A 148
GLU A 190
LEU A 192
LEU A 193
 None
ATP  A 501 ( 3.8A)
ATP  A 501 (-3.5A)
ATP  A 501 ( 4.7A)
ATP  A 501 (-4.2A)
 0.52A 4zmeB-2qk4A:
0.1		 4zmeB-2qk4A:
23.09
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 7 GLU A 297
ASP A 217
ALA A 235
TYR A 236
 None
 1.18A 4zz8A-2qk4A:
undetectable		 4zz8A-2qk4A:
18.08
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.
5B1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 7 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.86A 5b1bN-2qk4A:
undetectable
5b1bW-2qk4A:
undetectable		 5b1bN-2qk4A:
22.52
5b1bW-2qk4A:
9.84
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 7 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.83A 5b3sN-2qk4A:
undetectable
5b3sW-2qk4A:
undetectable		 5b3sN-2qk4A:
22.52
5b3sW-2qk4A:
9.84
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.
5I8F_A_ML1A211_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 6 VAL A 242
ALA A 239
GLN A 216
VAL A 198
 None
 1.00A 5i8fA-2qk4A:
undetectable		 5i8fA-2qk4A:
18.37
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.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 7 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.88A 5iy5N-2qk4A:
undetectable
5iy5W-2qk4A:
undetectable		 5iy5N-2qk4A:
22.52
5iy5W-2qk4A:
10.33
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 SER A 315
THR A 270
VAL A 259
THR A 258
ALA A 210
 None
 0.94A 5kpcA-2qk4A:
2.9		 5kpcA-2qk4A:
23.22
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.
5ODC_A_ACTA703_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 4 GLN A 241
GLN A 216
PRO A 238
ALA A 215
 None
 0.98A 5odcA-2qk4A:
4.4
5odcG-2qk4A:
4.8		 5odcA-2qk4A:
22.86
5odcG-2qk4A:
22.86
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.
5ODC_G_ACTG704_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 5 PRO A 238
ALA A 215
GLN A 241
GLN A 216
 None
 0.98A 5odcA-2qk4A:
4.8
5odcG-2qk4A:
4.8		 5odcA-2qk4A:
22.86
5odcG-2qk4A:
22.86
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.
5XDX_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.88A 5xdxN-2qk4A:
undetectable
5xdxW-2qk4A:
undetectable		 5xdxN-2qk4A:
22.52
5xdxW-2qk4A:
9.84
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.
5ZCO_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.86A 5zcoA-2qk4A:
undetectable
5zcoJ-2qk4A:
undetectable		 5zcoA-2qk4A:
22.52
5zcoJ-2qk4A:
9.84
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.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.88A 5zcpN-2qk4A:
undetectable
5zcpW-2qk4A:
undetectable		 5zcpN-2qk4A:
22.52
5zcpW-2qk4A:
9.84
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.
5ZCQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		4 / 8 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.87A 5zcqN-2qk4A:
undetectable
5zcqW-2qk4A:
undetectable		 5zcqN-2qk4A:
22.52
5zcqW-2qk4A:
9.84
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.
6GNG_A_QPSA601_1
(-)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 12 GLY A  73
THR A  39
GLY A  38
ASN A 290
GLN A 299
 None
 0.99A 6gngA-2qk4A:
4.8		 6gngA-2qk4A:
24.61
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.
6IEY_A_CLMA401_0
(ESTERASE)		 2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens) 		5 / 11 ILE A 354
ALA A 370
GLY A 384
PHE A 412
ALA A 415
 None
None
GOL  A 804 (-3.6A)
None
None
 1.10A 6ieyA-2qk4A:
undetectable
6ieyB-2qk4A:
2.4		 6ieyA-2qk4A:
22.78
6ieyB-2qk4A:
22.78