SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i1a'

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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 7 SER A 257
SER A 226
ALA A 224
PHE A 254
 None
 1.10A 1fxvA-4i1aA:
undetectable
1fxvB-4i1aA:
undetectable		 1fxvA-4i1aA:
18.58
1fxvB-4i1aA:
19.69
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.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		5 / 12 TYR A 271
ILE A 232
GLU A 300
ALA A 293
THR A 265
 None
 1.17A 1jtxA-4i1aA:
undetectable		 1jtxA-4i1aA:
23.60
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 8 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 0.90A 2dyrC-4i1aA:
undetectable
2dyrJ-4i1aA:
undetectable		 2dyrC-4i1aA:
22.11
2dyrJ-4i1aA:
8.79
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.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		3 / 3 TYR A 301
GLY A 289
PHE A 267
 None
 0.69A 2m2pB-4i1aA:
undetectable		 2m2pB-4i1aA:
7.64
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.08A 3ablP-4i1aA:
2.8
3ablW-4i1aA:
undetectable		 3ablP-4i1aA:
22.11
3ablW-4i1aA:
8.79
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 8 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 0.93A 3ag4C-4i1aA:
2.9
3ag4J-4i1aA:
undetectable		 3ag4C-4i1aA:
22.11
3ag4J-4i1aA:
8.79
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 7 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 0.93A 3asnC-4i1aA:
undetectable
3asnJ-4i1aA:
undetectable		 3asnC-4i1aA:
22.11
3asnJ-4i1aA:
8.79
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.
3KO0_S_TFPS202_1
(PROTEIN S100-A4)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 LEU A 208
SER A 210
ILE A 230
PHE A 261
 None
 0.93A 3ko0S-4i1aA:
undetectable		 3ko0S-4i1aA:
14.32
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 7 TYR A 179
GLU A 141
PHE A 107
TYR A 104
 None
 0.94A 3ku9B-4i1aA:
undetectable		 3ku9B-4i1aA:
20.81
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.
3SUD_A_SUEA1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 4 PHE A 207
TYR A 200
ILE A 248
LEU A 249
 None
 1.34A 3sudA-4i1aA:
undetectable		 3sudA-4i1aA:
16.15
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.
3SUE_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 5 PHE A 207
TYR A 200
ILE A 248
LEU A 249
 None
 1.17A 3sueC-4i1aA:
undetectable		 3sueC-4i1aA:
16.02
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.
4TWD_B_377B401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 5 GLU A 236
GLU A 343
TYR A 271
PHE A 340
 None
 1.42A 4twdA-4i1aA:
2.9
4twdB-4i1aA:
3.0		 4twdA-4i1aA:
21.22
4twdB-4i1aA:
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.
4TWD_H_377H401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLU A 236
GLU A 343
TYR A 271
PHE A 340
 None
 1.40A 4twdG-4i1aA:
undetectable
4twdH-4i1aA:
undetectable		 4twdG-4i1aA:
21.22
4twdH-4i1aA:
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.
4TWD_H_377H402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 5 GLU A 236
GLU A 343
TYR A 271
PHE A 340
 None
 1.39A 4twdH-4i1aA:
undetectable
4twdI-4i1aA:
undetectable		 4twdH-4i1aA:
21.22
4twdI-4i1aA:
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.15A 5b1bC-4i1aA:
2.9
5b1bJ-4i1aA:
undetectable		 5b1bC-4i1aA:
22.11
5b1bJ-4i1aA:
8.79
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.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		3 / 3 LEU A 194
PHE A 207
ILE A 195
 None
 0.68A 5dzk1-4i1aA:
undetectable
5dzkF-4i1aA:
undetectable
5dzkM-4i1aA:
undetectable		 5dzk1-4i1aA:
4.26
5dzkF-4i1aA:
20.30
5dzkM-4i1aA:
19.14
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.
5TRQ_B_ACTB306_0
(WELO5)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		3 / 3 GLU A 113
ARG A 116
TYR A 112
 None
 0.51A 5trqB-4i1aA:
undetectable		 5trqB-4i1aA:
24.64
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.06A 5z84P-4i1aA:
undetectable
5z84W-4i1aA:
undetectable		 5z84P-4i1aA:
22.11
5z84W-4i1aA:
8.79
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.12A 5z85P-4i1aA:
undetectable
5z85W-4i1aA:
undetectable		 5z85P-4i1aA:
22.11
5z85W-4i1aA:
8.79
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.03A 5z86C-4i1aA:
2.9
5z86J-4i1aA:
undetectable		 5z86C-4i1aA:
22.11
5z86J-4i1aA:
8.79
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.
5Z86_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.03A 5z86P-4i1aA:
2.9
5z86W-4i1aA:
undetectable		 5z86P-4i1aA:
22.11
5z86W-4i1aA:
8.79
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.04A 5zcoP-4i1aA:
3.9
5zcoW-4i1aA:
undetectable		 5zcoP-4i1aA:
22.11
5zcoW-4i1aA:
8.79
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.03A 5zcpC-4i1aA:
2.9
5zcpJ-4i1aA:
undetectable		 5zcpC-4i1aA:
22.11
5zcpJ-4i1aA:
8.79
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.
5ZCP_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 6 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 1.09A 5zcpP-4i1aA:
undetectable
5zcpW-4i1aA:
undetectable		 5zcpP-4i1aA:
22.11
5zcpW-4i1aA:
8.79
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.
6A93_B_8NUB3001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I
(Bacillus
subtilis) 		4 / 5 ASP A 346
ILE A 307
PHE A 325
TYR A 361
 None
 1.24A 6a93B-4i1aA:
2.2		 6a93B-4i1aA:
21.75