SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2nqi'

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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 ILE A 238
GLY A 249
ALA A 213
SER A 211
SER A 123
 None
 1.26A 1nbhA-2nqiA:
undetectable		 1nbhA-2nqiA:
22.22
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 ILE A 238
GLY A 249
ALA A 213
SER A 211
SER A 123
 None
 1.26A 1nbhC-2nqiA:
undetectable		 1nbhC-2nqiA:
22.22
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 6 PHE A  97
PHE A 186
ASN A 184
GLN A 142
 None
 1.48A 1t9uA-2nqiA:
0.0		 1t9uA-2nqiA:
16.32
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.
1V55_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 1.04A 1v55P-2nqiA:
undetectable
1v55W-2nqiA:
undetectable		 1v55P-2nqiA:
18.98
1v55W-2nqiA:
10.85
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.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 THR A 210
GLY A 208
GLY A 207
GLY A 113
PHE A 214
 None
NQI  A 501 (-3.8A)
NQI  A 501 (-3.2A)
NQI  A 501 (-3.1A)
None
 1.12A 1wg8A-2nqiA:
undetectable		 1wg8A-2nqiA:
22.82
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.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 THR A 210
GLY A 208
GLY A 207
GLY A 113
PHE A 214
 None
NQI  A 501 (-3.8A)
NQI  A 501 (-3.2A)
NQI  A 501 (-3.1A)
None
 1.12A 1wg8B-2nqiA:
undetectable		 1wg8B-2nqiA:
22.82
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.
2EIN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 6 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 1.12A 2einP-2nqiA:
undetectable
2einW-2nqiA:
undetectable		 2einP-2nqiA:
18.98
2einW-2nqiA:
10.85
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 6 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.96A 3ag1C-2nqiA:
undetectable
3ag1J-2nqiA:
undetectable		 3ag1C-2nqiA:
18.98
3ag1J-2nqiA:
10.85
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 GLN A 109
GLY A 113
HIS A 272
TRP A 298
 NQI  A 501 (-3.2A)
NQI  A 501 (-3.1A)
NQI  A 501 (-4.0A)
NQI  A 501 (-3.9A)
 0.52A 3ai8A-2nqiA:
4.7		 3ai8A-2nqiA:
19.71
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.
3EM0_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 ILE A 263
MET A 294
PHE A 334
LEU A 227
THR A 346
 None
 1.16A 3em0B-2nqiA:
undetectable		 3em0B-2nqiA:
16.92
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.
3L35_H_DHIH3_0
(GP41 N-PEPTIDE
HIV ENTRY INHIBITOR
PIE12)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		3 / 3 LEU A 118
TRP A 116
GLY A 207
 None
None
NQI  A 501 (-3.2A)
 0.79A 3l35A-2nqiA:
undetectable
3l35H-2nqiA:
undetectable		 3l35A-2nqiA:
10.09
3l35H-2nqiA:
2.74
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 8 PHE A  97
PHE A 141
PHE A 151
ALA A 189
 None
 0.94A 3t3sF-2nqiA:
undetectable		 3t3sF-2nqiA:
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 5 LEU A 247
ILE A 121
ALA A 213
PHE A 217
 None
 1.08A 4dc3B-2nqiA:
undetectable		 4dc3B-2nqiA:
22.36
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.
4UW0_A_SAMA1506_0
(WBDD)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 GLY A 249
ALA A 273
PHE A 345
VAL A 276
ILE A 292
 None
NQI  A 501 (-3.7A)
None
None
None
 1.00A 4uw0A-2nqiA:
undetectable		 4uw0A-2nqiA:
20.55
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		5 / 12 ASP A 165
ALA A 189
PRO A  88
ARG A  87
LEU A  91
 None
 1.37A 5syfB-2nqiA:
undetectable		 5syfB-2nqiA:
21.17
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_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.92A 5z84C-2nqiA:
undetectable
5z84J-2nqiA:
undetectable		 5z84C-2nqiA:
18.98
5z84J-2nqiA:
10.85
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.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.90A 5z85C-2nqiA:
undetectable
5z85J-2nqiA:
undetectable		 5z85C-2nqiA:
18.98
5z85J-2nqiA:
10.85
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.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.90A 5zcoC-2nqiA:
undetectable
5zcoJ-2nqiA:
undetectable		 5zcoC-2nqiA:
18.98
5zcoJ-2nqiA:
10.85
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.96A 5zcqC-2nqiA:
undetectable
5zcqJ-2nqiA:
undetectable		 5zcqC-2nqiA:
18.98
5zcqJ-2nqiA:
10.85
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.
5ZCQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 7 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.93A 5zcqP-2nqiA:
undetectable
5zcqW-2nqiA:
undetectable		 5zcqP-2nqiA:
18.98
5zcqW-2nqiA:
10.85
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.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2nqi CALPAIN-1 CATALYTIC
SUBUNIT
(Rattus
norvegicus) 		4 / 5 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 1.09A 6nmpP-2nqiA:
undetectable
6nmpW-2nqiA:
undetectable		 6nmpP-2nqiA:
18.98
6nmpW-2nqiA:
10.85