SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3whi'

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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 VAL A 255
GLY A 256
TYR A 257
SER A 263
VAL A 239
 None
 0.92A 1fduC-3whiA:
3.2		 1fduC-3whiA:
22.64
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 6 ALA A 159
SER A 188
TRP A 203
LEU A 180
 None
 1.23A 1gahA-3whiA:
undetectable		 1gahA-3whiA:
24.09
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.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 VAL A 255
GLY A 256
GLY A 217
THR A 314
ALA A 266
 None
 1.02A 2egvB-3whiA:
2.7		 2egvB-3whiA:
20.64
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 8 GLY A 292
GLY A  97
ILE A  98
THR A 161
 None
 0.64A 3d41A-3whiA:
undetectable		 3d41A-3whiA:
22.67
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 ILE A 324
ALA A 364
GLN A 361
ILE A 358
VAL A 238
 None
 1.10A 3dzuA-3whiA:
undetectable		 3dzuA-3whiA:
21.24
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.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 5 ASP A 122
ILE A 162
VAL A 211
THR A 264
 None
 1.21A 3eigA-3whiA:
undetectable		 3eigA-3whiA:
17.81
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.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		3 / 3 TYR A  77
TYR A 194
GLY A 256
 None
 0.63A 3eteB-3whiA:
2.1
3eteD-3whiA:
2.2
3eteF-3whiA:
2.0		 3eteB-3whiA:
20.71
3eteD-3whiA:
20.71
3eteF-3whiA:
20.71
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.
3FL9_A_TOPA200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 10 ALA A 240
VAL A 211
ALA A 363
ILE A 324
LEU A 325
 None
 1.20A 3fl9A-3whiA:
undetectable		 3fl9A-3whiA:
17.26
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.
3G2O_B_SAMB600_0
(PCZA361.24)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 ALA A 163
GLY A 173
LEU A 132
SER A 177
GLY A 113
 None
 1.06A 3g2oB-3whiA:
2.5		 3g2oB-3whiA:
22.45
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 GLY A 160
GLY A 173
ILE A 125
ASP A 131
LEU A 132
 None
None
None
CA  A 401 (-2.1A)
None
 1.03A 3ihtA-3whiA:
2.6		 3ihtA-3whiA:
18.82
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 6 ILE A 198
PRO A 258
LEU A 225
ASP A  71
 None
 1.26A 3oi8A-3whiA:
undetectable		 3oi8A-3whiA:
16.57
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.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 10 TYR A 194
ILE A 198
ILE A  11
ALA A 224
GLU A  69
 None
 1.36A 3u6tA-3whiA:
undetectable		 3u6tA-3whiA:
21.92
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.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 9 ALA A 138
ALA A 204
ILE A 201
GLY A 200
ILE A 121
 None
 1.13A 4eatB-3whiA:
2.4		 4eatB-3whiA:
22.03
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 6 TYR A  67
VAL A  65
VAL A  29
ILE A  30
 None
 0.83A 4l1wB-3whiA:
undetectable		 4l1wB-3whiA:
19.74
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		6 / 12 GLY A 124
GLY A 155
ASP A 126
ILE A 121
ASN A 213
GLY A 200
 None
 1.46A 4obwB-3whiA:
2.2		 4obwB-3whiA:
21.04
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 6 MET A 209
ILE A 358
ILE A 101
VAL A 360
 None
 0.98A 4olmA-3whiA:
undetectable		 4olmA-3whiA:
20.41
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.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 10 VAL A 238
LEU A 340
GLY A 113
ALA A 322
SER A 326
 None
 1.11A 4ph9A-3whiA:
undetectable		 4ph9A-3whiA:
19.93
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.
4PH9_B_IBPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 10 VAL A 238
LEU A 340
GLY A 113
ALA A 322
SER A 326
 None
 1.12A 4ph9B-3whiA:
undetectable		 4ph9B-3whiA:
19.93
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.
4QVW_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 11 THR A 254
ALA A 243
ALA A 242
GLY A 247
SER A 280
 None
 0.99A 4qvwY-3whiA:
undetectable
4qvwZ-3whiA:
undetectable		 4qvwY-3whiA:
20.56
4qvwZ-3whiA:
20.00
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 10 HIS A 154
LEU A 186
ALA A 243
ALA A 311
GLY A 217
 None
 1.38A 4rn6A-3whiA:
undetectable		 4rn6A-3whiA:
20.67
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 10 HIS A 154
LEU A 186
ALA A 259
ALA A 311
GLY A 217
 None
 1.21A 4rn6A-3whiA:
undetectable		 4rn6A-3whiA:
20.67
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 LEU A 225
GLY A 217
TYR A 257
GLY A 256
ALA A 241
 None
 1.25A 5e3iA-3whiA:
3.5		 5e3iA-3whiA:
20.22
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.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 TYR A 111
THR A 112
ALA A 105
GLN A 109
THR A 343
 None
 1.42A 5ewjC-3whiA:
4.0
5ewjD-3whiA:
6.0		 5ewjC-3whiA:
23.33
5ewjD-3whiA:
20.62
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.
5I9Y_A_1N1A1001_2
(EPHRIN TYPE-A
RECEPTOR 2)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		3 / 3 ILE A 197
ILE A  73
MET A 214
 None
 0.65A 5i9yA-3whiA:
undetectable		 5i9yA-3whiA:
22.89
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.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		4 / 5 GLY A 244
SER A 280
ARG A 276
GLY A 247
 None
 1.10A 5kprA-3whiA:
undetectable		 5kprA-3whiA:
23.68
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 3whi SUBTILISIN E
(Bacillus
subtilis) 		5 / 12 VAL A  44
VAL A 228
GLY A 192
THR A 220
GLY A 221
 None
 1.09A 6brdC-3whiA:
undetectable		 6brdC-3whiA:
11.23