SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ur2'

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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 11 PHE A 328
ILE A 397
GLY A 301
PHE A 392
ALA A   7
 None
None
None
SF4  A 501 ( 4.9A)
None
 1.26A 1ju6A-4ur2A:
undetectable		 1ju6A-4ur2A:
20.09
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 12 ALA A 221
GLY A 222
LEU A 158
ARG A 248
PHE A 300
 None
 1.20A 1vpoH-4ur2A:
undetectable
1vpoL-4ur2A:
undetectable		 1vpoH-4ur2A:
18.86
1vpoL-4ur2A:
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.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		4 / 6 ARG A  89
SER A 236
ILE A 432
ALA A  79
 None
None
IOD  A1467 ( 4.7A)
None
 0.90A 1w0gA-4ur2A:
undetectable		 1w0gA-4ur2A:
21.22
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.
2A3A_A_TEPA1434_1
(CHITINASE)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		3 / 3 TRP A 376
THR A 242
TYR A 246
 BVQ  A 503 (-4.2A)
BVQ  A 503 (-3.6A)
BVQ  A 503 (-4.2A)
 1.11A 2a3aA-4ur2A:
undetectable		 2a3aA-4ur2A:
20.53
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.
2A3A_B_TEPB2434_1
(CHITINASE)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		3 / 3 TRP A 376
THR A 242
TYR A 246
 BVQ  A 503 (-4.2A)
BVQ  A 503 (-3.6A)
BVQ  A 503 (-4.2A)
 1.09A 2a3aB-4ur2A:
undetectable		 2a3aB-4ur2A:
20.53
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.
2A3B_A_CFFA1434_1
(CHITINASE)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		3 / 3 TRP A 376
THR A 242
TYR A 246
 BVQ  A 503 (-4.2A)
BVQ  A 503 (-3.6A)
BVQ  A 503 (-4.2A)
 1.13A 2a3bA-4ur2A:
undetectable		 2a3bA-4ur2A:
20.53
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.
2EZ7_A_DHIA301_0
(CARBONIC ANHYDRASE 2)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		4 / 6 ASN A 358
GLN A 364
THR A 345
PRO A 348
 BVQ  A 503 (-3.7A)
BVQ  A 503 (-3.1A)
None
GOL  A 515 (-4.3A)
 1.46A 2ez7A-4ur2A:
undetectable		 2ez7A-4ur2A:
18.91
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 11 ILE A 260
LEU A 256
GLY A 155
ALA A 156
ASP A 157
 None
 1.07A 2fxdA-4ur2A:
undetectable		 2fxdA-4ur2A:
13.30
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.
2Q5K_A_AB1A201_2
(PROTEASE)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 12 GLY A 155
ALA A 156
ASP A 157
VAL A 220
VAL A 309
 None
 0.91A 2q5kB-4ur2A:
undetectable		 2q5kB-4ur2A:
13.07
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.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 9 ALA A 221
VAL A 309
VAL A 159
ILE A 260
ALA A 151
 None
None
IOD  A1465 (-4.8A)
None
None
 0.93A 2z0yA-4ur2A:
undetectable		 2z0yA-4ur2A:
18.24
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		6 / 9 ALA A 221
VAL A 309
VAL A 159
GLY A 160
ILE A 260
ALA A 151
 None
None
IOD  A1465 (-4.8A)
None
None
None
 1.09A 2z0yB-4ur2A:
undetectable		 2z0yB-4ur2A:
18.24
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 12 ARG A  89
GLY A  88
GLY A  71
ALA A  79
ASN A  81
 None
 1.10A 3kkzB-4ur2A:
undetectable		 3kkzB-4ur2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_F_ZPCF1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 12 GLU A  92
TYR A 382
PHE A  38
TYR A 102
MET A 249
 None
None
BVQ  A 503 ( 3.9A)
None
BVQ  A 503 (-3.3A)
 1.10A 4a97F-4ur2A:
0.2
4a97J-4ur2A:
0.0		 4a97F-4ur2A:
20.95
4a97J-4ur2A:
20.95
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.
4A97_G_ZPCG1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 12 PHE A  38
TYR A 102
MET A 249
GLU A  92
TYR A 382
 BVQ  A 503 ( 3.9A)
None
BVQ  A 503 (-3.3A)
None
None
 1.14A 4a97F-4ur2A:
0.0
4a97G-4ur2A:
0.0		 4a97F-4ur2A:
20.95
4a97G-4ur2A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M8W_A_4CHA512_0
(TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTICALLY ACTIVE
SUBUNIT)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		9 / 9 PHE A  38
TRP A  56
TRP A  96
TYR A 102
TYR A 246
ASN A 272
ARG A 305
TRP A 376
TYR A 382
 BVQ  A 503 ( 3.9A)
GOL  A 513 (-4.3A)
None
None
BVQ  A 503 (-4.2A)
BVQ  A 503 (-3.5A)
BVQ  A 503 (-2.4A)
BVQ  A 503 (-4.2A)
None
 0.27A 5m8wA-4ur2A:
68.3		 5m8wA-4ur2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M8W_B_4CHB507_0
(TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTICALLY ACTIVE
SUBUNIT)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		9 / 9 PHE A  38
TRP A  56
TRP A  96
TYR A 102
TYR A 246
ASN A 272
ARG A 305
TRP A 376
TYR A 382
 BVQ  A 503 ( 3.9A)
GOL  A 513 (-4.3A)
None
None
BVQ  A 503 (-4.2A)
BVQ  A 503 (-3.5A)
BVQ  A 503 (-2.4A)
BVQ  A 503 (-4.2A)
None
 0.32A 5m8wB-4ur2A:
66.3		 5m8wB-4ur2A:
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.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		3 / 3 CYH A 386
MET A 292
ASN A 367
 SF4  A 502 (-2.3A)
SF4  A 501 ( 4.7A)
None
 1.01A 5qh8A-4ur2A:
undetectable		 5qh8A-4ur2A:
17.38
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.
6A7P_A_9SCA601_0
(SERUM ALBUMIN)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 12 LEU A 209
ILE A 194
LEU A  98
GLY A 275
PHE A 110
 None
None
None
None
GOL  A 517 ( 3.6A)
 1.14A 6a7pA-4ur2A:
undetectable		 6a7pA-4ur2A:
19.42