SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4v03'

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.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 11 ILE A 203
ASN A 145
SER A 150
ILE A 151
THR A 235
 None
 1.04A 2blaA-4v03A:
3.4		 2blaA-4v03A:
22.56
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		4 / 6 THR A   8
ASP A 121
THR A  17
ASP A  47
 None
MG  A 401 ( 4.0A)
MG  A 401 ( 3.0A)
None
 1.12A 2okcB-4v03A:
undetectable		 2okcB-4v03A:
22.20
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 LEU A 161
ALA A 198
ILE A 172
VAL A 157
ILE A 158
 None
 0.99A 2pymA-4v03A:
undetectable		 2pymA-4v03A:
18.04
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		3 / 3 ARG A 175
ASN A  45
THR A 214
 ADP  A 303 (-3.5A)
None
ADP  A 303 (-3.7A)
 0.82A 2q63A-4v03A:
undetectable		 2q63A-4v03A:
19.22
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.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		4 / 8 LEU A 196
ASP A 155
ALA A 154
TYR A 169
 None
 1.11A 3rodA-4v03A:
undetectable		 3rodA-4v03A:
23.76
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.
4DTA_B_ADNB401_1
(APH(2'')-ID)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		4 / 8 ILE A 172
ILE A 203
LEU A 246
ILE A 200
 None
 0.91A 4dtaB-4v03A:
undetectable		 4dtaB-4v03A:
23.90
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.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		4 / 8 ILE A   7
GLY A  12
ASN A 145
GLU A 127
 None
ADP  A 303 ( 4.0A)
None
None
 1.01A 4fgjA-4v03A:
5.7
4fgjB-4v03A:
5.8		 4fgjA-4v03A:
22.76
4fgjB-4v03A:
22.76
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.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		4 / 7 ARG A 216
GLY A 217
ILE A  49
ASN A  22
 None
 0.95A 4g0vA-4v03A:
2.9		 4g0vA-4v03A:
16.23
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.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.07A 4ky8C-4v03A:
undetectable		 4ky8C-4v03A:
18.65
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.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.06A 4q0dC-4v03A:
4.4		 4q0dC-4v03A:
18.65
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.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.06A 4q0dD-4v03A:
3.9		 4q0dD-4v03A:
18.65
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.08A 4qi9A-4v03A:
3.0		 4qi9A-4v03A:
23.55
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.
4QI9_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.09A 4qi9B-4v03A:
3.2		 4qi9B-4v03A:
23.55
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 11 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.12A 4qleB-4v03A:
2.6		 4qleB-4v03A:
22.31
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ILE A 118
ALA A 137
THR A  20
ILE A  23
LEU A  27
 None
 1.13A 4x5fA-4v03A:
undetectable		 4x5fA-4v03A:
22.31
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ILE A 118
ALA A 137
THR A  20
ILE A  23
LEU A  27
 None
 1.13A 4x5fB-4v03A:
2.6		 4x5fB-4v03A:
22.31
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 4v03 SITE-DETERMINING
PROTEIN
(Aquifex
aeolicus) 		5 / 12 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.15A 5hi6A-4v03A:
3.2		 5hi6A-4v03A:
22.31