SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4g5e'

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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 6 GLN A 417
ASP A 420
VAL A 422
HIS A 314
 None
 1.13A 1ekjG-4g5eA:
undetectable
1ekjH-4g5eA:
undetectable		 1ekjG-4g5eA:
17.60
1ekjH-4g5eA:
17.60
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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 CYH A 150
GLY A 204
VAL A 155
ALA A 220
ALA A 219
 None
 1.18A 1nw5A-4g5eA:
undetectable		 1nw5A-4g5eA:
18.96
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.
1RQP_B_SAMB500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 8 PHE A 374
PHE A 333
ARG A 367
ALA A 301
 None
 1.16A 1rqpC-4g5eA:
undetectable		 1rqpC-4g5eA:
21.43
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.
1RQP_C_SAMC500_0
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 8 PHE A 374
PHE A 333
ARG A 367
ALA A 301
 None
 1.14A 1rqpA-4g5eA:
undetectable		 1rqpA-4g5eA:
21.43
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.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 THR A 317
PRO A 414
SER A 385
ILE A 315
VAL A 323
 None
 1.46A 1z9hC-4g5eA:
undetectable		 1z9hC-4g5eA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 8 ASP A 214
GLY A 187
PHE A 259
THR A 221
 None
 1.03A 2aouA-4g5eA:
undetectable		 2aouA-4g5eA:
21.06
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 GLY A 126
ALA A 127
ILE A 183
ILE A 216
VAL A 131
 None
 0.90A 2b7zA-4g5eA:
undetectable		 2b7zA-4g5eA:
14.35
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 GLY A 126
ALA A 127
ILE A 183
ILE A 216
VAL A 131
 None
 0.85A 2b7zB-4g5eA:
undetectable		 2b7zB-4g5eA:
14.35
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		3 / 3 ASN A 106
LEU A 110
HIS A 202
 None
 0.71A 2q6fB-4g5eA:
undetectable		 2q6fB-4g5eA:
20.42
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 8 PHE A 374
PHE A 333
ARG A 367
ALA A 301
 None
 1.09A 2v7uA-4g5eA:
undetectable		 2v7uA-4g5eA:
21.43
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 8 GLY A 425
TRP A 398
PHE A 407
ARG A 426
 None
 1.34A 3ccfA-4g5eA:
undetectable		 3ccfA-4g5eA:
21.08
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.
3EL4_A_ROCA100_1
(PROTEASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 GLY A 126
ALA A 127
ILE A 183
ILE A 216
VAL A 131
 None
 0.92A 3el4A-4g5eA:
undetectable		 3el4A-4g5eA:
12.33
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 8 HIS A 290
ALA A 453
ILE A 454
ARG A 461
 None
 0.99A 3fxrA-4g5eA:
undetectable		 3fxrA-4g5eA:
20.37
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.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 11 VAL A 223
ILE A 230
GLY A 255
ILE A 191
ILE A 201
 None
 1.03A 3lzvB-4g5eA:
undetectable		 3lzvB-4g5eA:
12.72
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.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 7 LEU A 253
THR A  34
ILE A  25
GLY A  21
 None
 0.95A 4eqlA-4g5eA:
undetectable		 4eqlA-4g5eA:
22.53
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.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 7 LEU A 253
THR A  34
ILE A  25
GLY A  21
 None
 0.93A 4l39B-4g5eA:
undetectable		 4l39B-4g5eA:
22.53
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 GLY A 366
TYR A 370
ILE A 362
ILE A 341
SER A 344
 None
 1.38A 4xudA-4g5eA:
undetectable		 4xudA-4g5eA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 9 LYS A 423
ILE A 424
ILE A 428
LEU A 431
 None
 0.81A 5vkqB-4g5eA:
undetectable
5vkqC-4g5eA:
undetectable		 5vkqB-4g5eA:
14.60
5vkqC-4g5eA:
14.60
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 10 GLY A 194
ARG A 439
VAL A 105
ASN A 106
PRO A 100
 None
 1.45A 5vncC-4g5eA:
undetectable		 5vncC-4g5eA:
9.34
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.
6B58_C_ACTC608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		4 / 5 TYR A 108
GLN A  70
HIS A  87
TYR A  86
 None
 1.45A 6b58C-4g5eA:
0.0		 6b58C-4g5eA:
23.36
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.
6DH0_A_017A101_0
(PROTEASE)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 12 GLY A 126
ALA A 127
ILE A 183
ILE A 216
VAL A 131
 None
 0.81A 6dh0A-4g5eA:
undetectable		 6dh0A-4g5eA:
10.17
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.
6HU9_C_PCFC607_0
(CYTOCHROME B)		 4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE
(Cupriavidus
pinatubonensis) 		5 / 10 PHE A 207
ALA A 278
PHE A 218
PHE A 154
VAL A 205
 None
 1.49A 6hu9C-4g5eA:
1.7		 6hu9C-4g5eA:
23.36