SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1toa'

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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 HIS A  68
GLY A 218
GLU A 248
ASP A 279
ASP A  66
 ZN  A 501 ( 3.4A)
None
None
ZN  A 501 ( 2.0A)
None
 1.10A 1a4lD-1toaA:
undetectable		 1a4lD-1toaA:
21.76
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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 7 LEU A 140
TYR A 204
TRP A 135
ASN A  89
 None
 1.31A 1afsA-1toaA:
undetectable		 1afsA-1toaA:
20.00
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.
1AFS_B_TESB325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 7 LEU A 140
TYR A 204
TRP A 135
ASN A  89
 None
 1.31A 1afsB-1toaA:
undetectable		 1afsB-1toaA:
20.00
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.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		6 / 12 LEU A  60
LEU A  57
ILE A  86
GLY A  81
ALA A  83
LEU A  35
 None
 1.26A 1cqeB-1toaA:
undetectable		 1cqeB-1toaA:
19.59
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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 5 THR A 221
ASP A 279
HIS A 133
HIS A 199
 None
ZN  A 501 ( 2.0A)
ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
 1.24A 1ei6A-1toaA:
undetectable		 1ei6A-1toaA:
21.90
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.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		6 / 12 VAL A  36
LEU A 152
ILE A  43
GLY A  41
ALA A  44
LEU A  57
 None
 1.39A 1eqhA-1toaA:
undetectable		 1eqhA-1toaA:
19.59
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.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		6 / 12 VAL A  36
LEU A 152
ILE A  43
GLY A  41
ALA A  44
LEU A  57
 None
 1.40A 1eqhB-1toaA:
undetectable		 1eqhB-1toaA:
19.59
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 GLU A 275
ALA A 244
PHE A 211
PHE A 136
ASN A 298
 None
 1.15A 1nw3A-1toaA:
2.9		 1nw3A-1toaA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 TYR A 204
ALA A  46
VAL A 113
ALA A 112
LEU A  91
 None
 1.28A 1udtA-1toaA:
undetectable		 1udtA-1toaA:
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.
1UWJ_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		3 / 3 ILE A 251
ASP A 200
PHE A 202
 None
 0.60A 1uwjB-1toaA:
undetectable		 1uwjB-1toaA:
22.79
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 10 ALA A  44
ILE A  43
VAL A  36
ALA A  83
LEU A 109
 None
 1.00A 1xp0A-1toaA:
0.0		 1xp0A-1toaA:
21.01
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 8 ASP A 200
ASP A 131
LEU A 123
SER A 206
 None
 0.96A 2q0iA-1toaA:
undetectable		 2q0iA-1toaA:
22.78
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.
2YVL_C_SAMC604_1
(HYPOTHETICAL PROTEIN)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 4 GLY A 293
GLU A 288
ASP A 300
TYR A 180
 None
 0.81A 2yvlC-1toaA:
undetectable		 2yvlC-1toaA:
22.02
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.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 ILE A 272
ILE A 245
VAL A 196
LYS A 214
GLY A 215
 None
 1.08A 3em0B-1toaA:
0.0		 3em0B-1toaA:
18.28
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.
3QPK_A_CUA602_0
(LACCASE-1)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		3 / 3 HIS A 133
HIS A  68
HIS A 199
 ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
ZN  A 501 ( 3.4A)
 0.46A 3qpkA-1toaA:
undetectable		 3qpkA-1toaA:
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.
3QPK_B_CUB602_0
(LACCASE-1)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		3 / 3 HIS A 133
HIS A  68
HIS A 199
 ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
ZN  A 501 ( 3.4A)
 0.46A 3qpkB-1toaA:
undetectable		 3qpkB-1toaA:
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		3 / 3 LYS A  33
PRO A  34
LEU A  35
 None
 0.74A 3tpxE-1toaA:
undetectable		 3tpxE-1toaA:
16.60
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 6 HIS A 133
GLU A 248
ASP A 279
SER A 250
 ZN  A 501 ( 3.5A)
None
ZN  A 501 ( 2.0A)
None
 1.11A 4apjA-1toaA:
undetectable
4apjP-1toaA:
undetectable		 4apjA-1toaA:
20.24
4apjP-1toaA:
3.72
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 7 PHE A 246
ALA A 244
ALA A 304
LEU A 306
 None
 0.96A 4du2A-1toaA:
undetectable		 4du2A-1toaA:
21.37
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.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 ARG A 266
ILE A 245
LEU A 259
ALA A 235
LEU A 242
 None
 0.94A 4m11B-1toaA:
undetectable		 4m11B-1toaA:
19.81
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 8 GLY A  90
THR A  39
LEU A  87
TYR A  88
 None
 1.11A 4m5mA-1toaA:
undetectable		 4m5mA-1toaA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NC3_A_ERMA1202_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 SER A 250
VAL A 134
PHE A 202
ALA A 198
LEU A 125
 None
 1.22A 4nc3A-1toaA:
undetectable		 4nc3A-1toaA:
20.62
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 GLY A  59
GLY A  41
ALA A  44
PRO A  67
TYR A  70
 None
 1.03A 4rtmA-1toaA:
undetectable		 4rtmA-1toaA:
25.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		5 / 12 GLY A  90
LEU A  91
ALA A 147
VAL A 134
PHE A 130
 None
 1.10A 4wnwB-1toaA:
0.0		 4wnwB-1toaA:
21.16
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 8 ILE A  50
PHE A 163
GLN A 165
GLU A 162
 None
 1.14A 5dqyA-1toaA:
undetectable		 5dqyA-1toaA:
17.21
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.
5MIG_A_CUA601_0
(LACCASE 2)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		3 / 3 HIS A 133
HIS A  68
HIS A 199
 ZN  A 501 ( 3.5A)
ZN  A 501 ( 3.4A)
ZN  A 501 ( 3.4A)
 0.44A 5migA-1toaA:
undetectable		 5migA-1toaA:
20.84
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 5 THR A 197
HIS A 199
ASP A 279
HIS A 133
 None
ZN  A 501 ( 3.4A)
ZN  A 501 ( 2.0A)
ZN  A 501 ( 3.5A)
 1.43A 6dchA-1toaA:
undetectable		 6dchA-1toaA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)
(Treponema
pallidum) 		4 / 5 GLU A 212
VAL A 194
LEU A 242
HIS A 268
 None
 1.12A 6dyoA-1toaA:
undetectable		 6dyoA-1toaA:
13.52