SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4mx6'

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.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		3 / 3 VAL A 318
VAL A 314
TRP A 319
 None
 0.85A 1bdwA-4mx6A:
undetectable
1bdwB-4mx6A:
undetectable		 1bdwA-4mx6A:
3.85
1bdwB-4mx6A:
3.85
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.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 9 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.31A 1i00B-4mx6A:
undetectable		 1i00B-4mx6A:
20.77
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.
1WU8_C_ADNC502_1
(HYPOTHETICAL PROTEIN
PH0463)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 7 PHE A 161
ASN A 219
HIS A 241
VAL A 180
 None
SIN  A 401 (-3.4A)
None
None
 1.37A 1wu8A-4mx6A:
undetectable
1wu8C-4mx6A:
undetectable		 1wu8A-4mx6A:
22.51
1wu8C-4mx6A:
22.51
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.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		3 / 3 ASN A 219
TYR A 246
SER A 222
 SIN  A 401 (-3.4A)
SIN  A 401 (-4.4A)
None
 0.92A 2gvcE-4mx6A:
undetectable		 2gvcE-4mx6A:
22.15
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_2
(PROTEASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 9 ALA A  55
VAL A 248
ILE A 274
GLY A 277
ILE A 280
 None
 1.25A 3el4B-4mx6A:
undetectable		 3el4B-4mx6A:
13.62
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 9 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.34A 4eb4C-4mx6A:
undetectable		 4eb4C-4mx6A:
21.95
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.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 10 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.34A 4eb4D-4mx6A:
undetectable		 4eb4D-4mx6A:
21.95
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 6 ARG A 179
GLY A 216
GLN A 189
MET A 315
 SIN  A 401 (-2.9A)
None
None
None
 1.19A 4g0vB-4mx6A:
undetectable		 4g0vB-4mx6A:
17.12
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.
4MF6_A_BEZA303_0
(GLUTATHIONE
S-TRANSFERASE DOMAIN)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 5 THR A  49
PRO A  50
PHE A 202
ASN A 156
 None
None
SIN  A 401 (-2.6A)
None
 1.17A 4mf6A-4mx6A:
undetectable		 4mf6A-4mx6A:
22.51
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.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 6 SER A 239
GLU A 238
ARG A 179
GLY A 216
 None
None
SIN  A 401 (-2.9A)
None
 0.91A 5cdnR-4mx6A:
undetectable
5cdnS-4mx6A:
undetectable		 5cdnR-4mx6A:
21.70
5cdnS-4mx6A:
21.41
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.
5GWK_D_EVPD102_1
(DNA TOPOISOMERASE
2-ALPHA)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 4 GLY A 327
ASP A 329
ARG A 111
MET A 124
 None
 1.38A 5gwkB-4mx6A:
0.9		 5gwkB-4mx6A:
18.53
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.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 12 VAL A  72
ALA A 269
VAL A  62
LEU A 258
LEU A 154
 None
 1.15A 5hv1A-4mx6A:
undetectable		 5hv1A-4mx6A:
18.13
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 12 PHE A 115
LEU A 117
SER A 103
GLY A 242
VAL A 243
 None
 1.27A 5o4yD-4mx6A:
undetectable
5o4yE-4mx6A:
undetectable		 5o4yD-4mx6A:
4.35
5o4yE-4mx6A:
17.10
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.
5VLM_A_CVIA301_0
(REGULATORY PROTEIN
TETR)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 12 ALA A  55
SER A 273
GLU A 272
LEU A 270
ILE A 266
 None
 1.23A 5vlmA-4mx6A:
undetectable		 5vlmA-4mx6A:
19.25
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 10 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.38A 5x66D-4mx6A:
undetectable		 5x66D-4mx6A:
20.82
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.
6GNF_A_QPSA602_1
(-)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 12 VAL A 248
ASP A 245
ASN A 156
PRO A  50
GLY A  52
 None
 1.01A 6gnfA-4mx6A:
undetectable		 6gnfA-4mx6A:
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.
6GNF_C_QPSC602_2
(-)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 12 VAL A 248
ASP A 245
ASN A 156
PRO A  50
GLY A  52
 None
 1.01A 6gnfC-4mx6A:
undetectable		 6gnfC-4mx6A:
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 7 GLN A  53
GLY A  52
VAL A  44
SER A 222
 None
None
SIN  A 401 (-4.7A)
None
 1.05A 6hu9S-4mx6A:
undetectable
6hu9q-4mx6A:
undetectable		 6hu9S-4mx6A:
14.97
6hu9q-4mx6A:
20.59