SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3r9w'

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.
1E7B_B_HLTB4003_1
(SERUM ALBUMIN)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 6 VAL A   9
GLY A  10
ALA A  79
LEU A  83
 None
 0.65A 1e7bB-3r9wA:
undetectable		 1e7bB-3r9wA:
19.63
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.
1LIN_A_TFPA155_1
(CALMODULIN)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 7 GLU A 266
MET A 204
MET A 203
ALA A 202
 None
 1.18A 1linA-3r9wA:
undetectable		 1linA-3r9wA:
19.42
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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 6 ARG A 199
ASP A  58
ASN A  22
GLU A 196
 None
MG  A 401 ( 4.0A)
None
None
 1.16A 1rjdA-3r9wA:
undetectable		 1rjdA-3r9wA:
23.51
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 6 ARG A 199
ASP A  58
ASN A  22
GLU A 196
 None
MG  A 401 ( 4.0A)
None
None
 1.17A 1rjdB-3r9wA:
undetectable		 1rjdB-3r9wA:
23.51
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.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 6 ARG A 199
ASP A  58
ASN A  22
GLU A 196
 None
MG  A 401 ( 4.0A)
None
None
 1.16A 1rjdC-3r9wA:
undetectable		 1rjdC-3r9wA:
23.51
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.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 10 LEU A 114
ALA A   7
GLY A  10
ILE A  62
ILE A  89
 None
 0.89A 1sdvA-3r9wA:
undetectable		 1sdvA-3r9wA:
15.07
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 TYR A   5
GLY A   4
GLY A 176
GLN A  53
PHE A 180
 None
 1.34A 2akeA-3r9wA:
undetectable		 2akeA-3r9wA:
20.10
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 TYR A   5
GLY A   4
GLY A 176
GLN A  53
PHE A 180
 None
 1.35A 2azxA-3r9wA:
undetectable		 2azxA-3r9wA:
20.33
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.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 TYR A   5
GLY A   4
GLY A 176
GLN A  53
PHE A 180
 None
 1.36A 2azxB-3r9wA:
undetectable		 2azxB-3r9wA:
20.33
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 11 TYR A   5
GLY A   4
GLY A 176
GLN A  53
PHE A 180
 None
 1.34A 2dr2A-3r9wA:
undetectable		 2dr2A-3r9wA:
20.10
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.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 GLU A 258
ILE A 237
GLY A 260
GLN A 265
ILE A 259
 None
None
C  B1536 ( 3.4A)
None
None
 1.07A 2ogyA-3r9wA:
2.3		 2ogyA-3r9wA:
21.75
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.
2OGY_B_C2FB4000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 GLU A 258
ILE A 237
GLY A 260
GLN A 265
ILE A 259
 None
None
C  B1536 ( 3.4A)
None
None
 1.35A 2ogyB-3r9wA:
undetectable		 2ogyB-3r9wA:
21.75
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 6 LEU A 190
LEU A 193
ILE A 221
ARG A 191
 None
 1.05A 2rlfA-3r9wA:
undetectable
2rlfB-3r9wA:
undetectable		 2rlfA-3r9wA:
9.38
2rlfB-3r9wA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLF_C_RIMC399_1
(MATRIX PROTEIN 2)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 6 LEU A 190
LEU A 193
ILE A 221
ARG A 191
 None
 0.98A 2rlfC-3r9wA:
undetectable
2rlfD-3r9wA:
undetectable		 2rlfC-3r9wA:
9.38
2rlfD-3r9wA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 11 VAL A   9
GLY A  10
VAL A  14
ILE A  78
ALA A  79
 None
None
GNP  A 402 (-4.1A)
None
None
 1.00A 2yy8A-3r9wA:
undetectable
2yy8B-3r9wA:
undetectable		 2yy8A-3r9wA:
22.30
2yy8B-3r9wA:
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.
3GWW_A_SFXA801_1
(TRANSPORTER)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 LEU A  19
GLY A  15
ILE A 154
ALA A  95
ASP A 126
 None
GNP  A 402 (-3.2A)
None
None
GNP  A 402 (-3.0A)
 1.09A 3gwwA-3r9wA:
undetectable		 3gwwA-3r9wA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_B_017B200_1
(FIV PROTEASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 10 ASP A 187
GLY A 298
SER A  29
VAL A  28
LEU A 188
 None
None
MG  A 401 ( 4.8A)
None
None
 1.02A 3ogpA-3r9wA:
undetectable		 3ogpA-3r9wA:
18.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3R9W_A_ACTA506_0
(GTPASE ERA)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 4 GLU A  64
GLU A 105
ASN A 109
PHE A 110
 ACT  A 506 (-4.0A)
ACT  A 506 ( 4.1A)
ACT  A 506 ( 4.8A)
ACT  A 506 ( 4.9A)
 0.00A 3r9wA-3r9wA:
51.5		 3r9wA-3r9wA:
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.
3RV5_D_DXCD92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 5 VAL A   6
GLU A 177
LYS A  46
PHE A  56
 None
 1.31A 3rv5C-3r9wA:
0.0
3rv5D-3r9wA:
0.0		 3rv5C-3r9wA:
11.76
3rv5D-3r9wA:
11.76
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.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 7 ALA A 160
GLY A 159
ILE A 154
ILE A 125
 None
 0.65A 4eatA-3r9wA:
4.6		 4eatA-3r9wA:
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.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 9 VAL A 121
VAL A 120
VAL A   6
ILE A   8
GLY A  10
 None
 0.80A 4fwdA-3r9wA:
undetectable		 4fwdA-3r9wA:
17.63
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.
4NJU_A_TPVA500_2
(PROTEASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 10 LEU A 114
ALA A   7
GLY A  10
ILE A  62
ILE A  89
 None
 0.90A 4njuB-3r9wA:
undetectable		 4njuB-3r9wA:
15.07
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.
4NJU_C_TPVC500_2
(PROTEASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 10 LEU A 114
ALA A   7
GLY A  10
ILE A  62
ILE A  89
 None
 0.89A 4njuD-3r9wA:
undetectable		 4njuD-3r9wA:
15.07
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		6 / 12 LEU A 179
LEU A  43
VAL A   6
MET A 184
ILE A 185
VAL A  28
 None
 1.36A 4ok1A-3r9wA:
undetectable		 4ok1A-3r9wA:
21.82
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.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 LEU A 179
LEU A  43
VAL A   6
MET A 184
VAL A  28
 None
 1.39A 4okxA-3r9wA:
undetectable		 4okxA-3r9wA:
21.82
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.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		3 / 3 ARG A 288
ASP A 240
TRP A 287
 None
 1.11A 4xdqA-3r9wA:
undetectable		 4xdqA-3r9wA:
23.10
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 7 GLU A 140
ILE A  93
LEU A 165
ILE A 151
 None
 0.74A 4xumA-3r9wA:
undetectable		 4xumA-3r9wA:
23.08
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.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 7 ILE A 111
LEU A  83
GLY A  10
LYS A  11
 None
 0.92A 4z69A-3r9wA:
undetectable		 4z69A-3r9wA:
19.63
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.
5LG3_J_Z80J401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 12 ILE A 119
ILE A 169
VAL A 121
ASN A  22
ILE A   8
 None
 1.21A 5lg3J-3r9wA:
undetectable		 5lg3J-3r9wA:
22.92
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 10 LEU A 279
LEU A 193
ALA A 194
LEU A 267
GLU A 278
 None
 1.17A 5y7pG-3r9wA:
undetectable		 5y7pG-3r9wA:
21.55
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.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		5 / 8 GLU A 209
ARG A 207
THR A 206
PRO A 211
ILE A 248
 G  B1530 ( 3.0A)
A  B1531 ( 3.6A)
A  B1531 ( 4.7A)
None
None
 1.47A 6a4iA-3r9wA:
undetectable		 6a4iA-3r9wA:
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 3r9w GTPASE ERA
(Aquifex
aeolicus) 		4 / 7 ARG A 255
ALA A 202
THR A 206
ILE A 247
 A  B1531 ( 3.3A)
None
A  B1531 ( 4.7A)
A  B1531 ( 4.1A)
 0.87A 6ma7A-3r9wA:
undetectable		 6ma7A-3r9wA:
12.96