SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1mdw'

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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		5 / 12 ILE A 188
ARG A 123
PHE A 143
ILE A 111
LEU A 181
 None
 1.09A 1drfA-1mdwA:
undetectable		 1drfA-1mdwA:
18.15
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.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		3 / 3 ASP A 128
PHE A  87
VAL A 125
 None
 0.76A 1kijB-1mdwA:
0.0		 1kijB-1mdwA:
23.28
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		5 / 12 ILE A 188
ARG A 123
PHE A 143
ILE A 111
LEU A 181
 None
 0.89A 2w3bA-1mdwA:
undetectable		 2w3bA-1mdwA:
18.75
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 8 ALA A 112
ALA A 110
THR A 208
LEU A 343
 None
 1.04A 2wx2B-1mdwA:
undetectable		 2wx2B-1mdwA:
19.92
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.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 6 SER A  50
VAL A 152
TYR A  27
ASP A  48
 None
 1.40A 2x45A-1mdwA:
0.0		 2x45A-1mdwA:
17.02
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 7 GLN A  99
GLY A 103
HIS A 262
TRP A 288
 None
 0.50A 3ai8A-1mdwA:
6.8		 3ai8A-1mdwA:
21.97
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.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		5 / 12 THR A 208
PHE A 204
LEU A 338
GLU A 213
ALA A 231
 None
 1.46A 3apxA-1mdwA:
0.0		 3apxA-1mdwA:
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 5 ALA A 212
LEU A 338
GLY A 239
THR A 115
 None
 0.97A 3dl9A-1mdwA:
undetectable		 3dl9A-1mdwA:
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 8 ARG A 285
TYR A 335
VAL A 291
PRO A 287
 None
 1.13A 3jq7C-1mdwA:
undetectable		 3jq7C-1mdwA:
20.28
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.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 8 ALA A 112
ALA A 110
THR A 208
LEU A 343
 None
 1.06A 3l4dD-1mdwA:
undetectable		 3l4dD-1mdwA:
21.76
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		5 / 12 PHE A 331
TYR A 335
GLU A 339
ILE A 340
ILE A 228
 None
 1.36A 3ndiA-1mdwA:
undetectable		 3ndiA-1mdwA:
22.25
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 8 PHE A  87
PHE A 131
PHE A 141
ALA A 179
 None
 0.91A 3t3sF-1mdwA:
0.0		 3t3sF-1mdwA:
20.34
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.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 6 GLY A 100
LEU A  63
TYR A 192
GLU A 182
 None
 1.10A 3w9tB-1mdwA:
0.0		 3w9tB-1mdwA:
22.25
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.
3W9T_E_W9TE502_1
(HEMOLYTIC LECTIN
CEL-III)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 6 GLY A 100
LEU A  63
TYR A 192
GLU A 182
 None
 1.11A 3w9tE-1mdwA:
0.0		 3w9tE-1mdwA:
22.25
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.
3W9T_F_W9TF503_1
(HEMOLYTIC LECTIN
CEL-III)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 6 GLY A 100
LEU A  63
TYR A 192
GLU A 182
 None
 1.11A 3w9tF-1mdwA:
undetectable		 3w9tF-1mdwA:
22.25
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 6 GLU A 119
ILE A 120
ASN A 117
GLU A 213
 None
 1.11A 4ejwB-1mdwA:
undetectable		 4ejwB-1mdwA:
17.68
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.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 5 LEU A 107
ALA A 112
THR A 115
VAL A 124
 None
 0.95A 4xe3B-1mdwA:
undetectable		 4xe3B-1mdwA:
23.30
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 5 GLY A 203
TYR A 264
SER A 241
GLU A 339
 None
 1.37A 4xueA-1mdwA:
undetectable		 4xueA-1mdwA:
19.27
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.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 8 TYR A 215
ASN A 342
LEU A 232
ALA A 231
 None
 0.79A 5y7pE-1mdwA:
0.0		 5y7pE-1mdwA:
21.25
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.
6NMP_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1mdw CALPAIN II,
CATALYTIC SUBUNIT
(Rattus
norvegicus) 		4 / 5 LEU A  45
GLN A  47
PHE A  46
PHE A 131
 None
 1.22A 6nmpP-1mdwA:
undetectable
6nmpW-1mdwA:
0.0		 6nmpP-1mdwA:
19.10
6nmpW-1mdwA:
11.01