SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i1d'

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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 PHE A 261
TYR A 134
PHE A 315
ALA A 335
GLY A 266
 ACT  A 416 (-4.0A)
None
None
None
None
 1.00A 1fe2A-4i1dA:
undetectable		 1fe2A-4i1dA:
18.63
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 LEU A 328
SER A 330
PHE A 315
ALA A 299
ALA A 314
 None
 1.02A 1n5xA-4i1dA:
undetectable		 1n5xA-4i1dA:
13.04
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 LEU A 328
SER A 330
PHE A 315
ALA A 299
ALA A 314
 None
 1.02A 1n5xB-4i1dA:
undetectable		 1n5xB-4i1dA:
13.04
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.
1WYG_A_SALA4005_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 10 LEU A 328
SER A 330
PHE A 315
ALA A 299
ALA A 314
 None
 0.99A 1wygA-4i1dA:
undetectable		 1wygA-4i1dA:
14.02
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.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 LEU A 201
ILE A 184
MET A 243
SER A 147
GLN A 269
 None
GOL  A 410 ( 4.9A)
None
None
None
 1.49A 1xotB-4i1dA:
undetectable		 1xotB-4i1dA:
21.62
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.
1XOT_B_VDNB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 LEU A 204
ILE A 184
MET A 243
SER A 147
GLN A 269
 None
GOL  A 410 ( 4.9A)
None
None
None
 1.45A 1xotB-4i1dA:
undetectable		 1xotB-4i1dA:
21.62
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		4 / 6 LEU A 213
TRP A 346
MET A 341
LEU A 201
 None
 1.43A 2oz7A-4i1dA:
undetectable		 2oz7A-4i1dA:
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		3 / 3 ASP A 306
THR A 271
PRO A 103
 SO4  A 406 (-4.5A)
None
GOL  A 410 ( 4.9A)
 0.70A 2pynB-4i1dA:
undetectable		 2pynB-4i1dA:
15.36
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.
2Q6O_A_SAMA500_0
(HYPOTHETICAL PROTEIN)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		4 / 7 VAL A 100
ALA A  82
PHE A 288
TRP A  97
 None
 0.95A 2q6oA-4i1dA:
undetectable		 2q6oA-4i1dA:
21.62
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		3 / 3 ASP A 306
THR A 271
PRO A 103
 SO4  A 406 (-4.5A)
None
GOL  A 410 ( 4.9A)
 0.69A 2qakB-4i1dA:
undetectable		 2qakB-4i1dA:
15.26
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.
3IIZ_A_SAMA1501_0
(BIOTIN SYNTHETASE,
PUTATIVE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 GLN A 269
SER A 147
ARG A 180
TYR A 343
TYR A 106
 None
None
GOL  A 410 (-3.5A)
ACT  A 413 ( 4.6A)
ACT  A 413 ( 3.9A)
 1.46A 3iizA-4i1dA:
undetectable		 3iizA-4i1dA:
19.95
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		3 / 3 GLU A 215
ASP A 194
ASP A 169
 None
 0.77A 3jb2A-4i1dA:
undetectable		 3jb2A-4i1dA:
15.01
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		4 / 6 TYR A  54
ILE A 305
SER A  78
SER A  49
 ACT  A 411 ( 4.3A)
SO4  A 406 (-4.8A)
None
None
 1.02A 3pmzD-4i1dA:
undetectable		 3pmzD-4i1dA:
21.62
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 ASP A  81
VAL A 100
ILE A  86
THR A  46
VAL A  48
 None
 0.85A 3so9B-4i1dA:
undetectable		 3so9B-4i1dA:
14.33
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.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		3 / 3 TYR A 134
GLU A 143
TYR A 145
 None
ACT  A 411 ( 4.5A)
ACT  A 411 (-4.0A)
 0.87A 3ug8A-4i1dA:
undetectable		 3ug8A-4i1dA:
21.27
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.
4JXC_A_SAMA402_0
(FEFE-HYDROGENASE
MATURASE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 GLN A 269
SER A 147
ARG A 180
TYR A 343
TYR A 106
 None
None
GOL  A 410 (-3.5A)
ACT  A 413 ( 4.6A)
ACT  A 413 ( 3.9A)
 1.46A 4jxcA-4i1dA:
undetectable		 4jxcA-4i1dA:
19.95
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.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		4 / 6 THR A 271
ASN A 246
GLN A 327
GLU A 331
 None
 1.23A 4nc3A-4i1dA:
undetectable		 4nc3A-4i1dA:
21.60
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.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 GLN A 269
SER A 147
ARG A 180
TYR A 343
TYR A 106
 None
None
GOL  A 410 (-3.5A)
ACT  A 413 ( 4.6A)
ACT  A 413 ( 3.9A)
 1.44A 5fepA-4i1dA:
undetectable		 5fepA-4i1dA:
21.50
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.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 GLN A 269
SER A 147
ARG A 180
TYR A 343
TYR A 106
 None
None
GOL  A 410 (-3.5A)
ACT  A 413 ( 4.6A)
ACT  A 413 ( 3.9A)
 1.47A 5fesA-4i1dA:
undetectable		 5fesA-4i1dA:
21.50
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		3 / 3 LEU A  63
TYR A 142
SER A  49
 None
 0.89A 5iktA-4i1dA:
undetectable		 5iktA-4i1dA:
19.10
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN
(Bradyrhizobium
diazoefficiens) 		5 / 12 ALA A 190
ALA A 189
ILE A 184
LEU A 213
ALA A 209
 None
None
GOL  A 410 ( 4.9A)
None
None
 1.06A 6a5zD-4i1dA:
undetectable		 6a5zD-4i1dA:
14.42