SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3k50'

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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 10 VAL A 330
LEU A 271
LEU A 253
THR A 323
THR A 319
 None
 1.39A 1rj6A-3k50A:
undetectable		 1rj6A-3k50A:
21.48
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.
2YVL_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		3 / 3 GLU A 292
ASP A 288
TYR A  52
 None
 0.82A 2yvlB-3k50A:
undetectable		 2yvlB-3k50A:
20.63
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 5 LYS A 220
GLU A 218
GLY A 222
PRO A 197
 None
 0.86A 3onnA-3k50A:
undetectable		 3onnA-3k50A:
21.26
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.
3PGY_A_GLYA510_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 6 ILE A 331
GLU A 328
PHE A 219
ASN A 256
 None
 1.07A 3pgyA-3k50A:
undetectable
3pgyB-3k50A:
undetectable		 3pgyA-3k50A:
22.15
3pgyB-3k50A:
22.15
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 12 PHE A 249
PHE A 238
LEU A 334
VAL A 340
VAL A 330
 None
 1.13A 3u9fP-3k50A:
undetectable
3u9fS-3k50A:
undetectable		 3u9fP-3k50A:
21.20
3u9fS-3k50A:
21.20
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 11 GLY A 325
ASP A 262
ASN A 332
TYR A 374
LEU A 297
 None
 1.20A 3v8vB-3k50A:
undetectable		 3v8vB-3k50A:
20.38
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 12 GLY A 163
ILE A 116
VAL A 119
MET A 187
LEU A 160
 None
None
CL  A   1 (-4.4A)
None
None
 1.14A 4a81A-3k50A:
undetectable		 4a81A-3k50A:
19.36
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 12 ILE A 182
ILE A 116
VAL A 119
MET A 187
LEU A 160
 None
None
CL  A   1 (-4.4A)
None
None
 0.99A 4a81A-3k50A:
undetectable		 4a81A-3k50A:
19.36
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 12 GLN A 228
LEU A 303
ARG A 235
ALA A 272
SER A 260
 None
 1.22A 4aqlA-3k50A:
2.2		 4aqlA-3k50A:
21.15
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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 11 VAL A 330
LEU A 271
LEU A 253
THR A 323
THR A 319
 None
 1.30A 4k0sA-3k50A:
undetectable		 4k0sA-3k50A:
20.24
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 8 LEU A 152
TYR A  96
ARG A 158
PHE A  98
 None
 0.91A 4m5mA-3k50A:
undetectable		 4m5mA-3k50A:
18.34
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 6 ASN A 113
ALA A 114
TYR A 100
ASP A 395
 None
None
None
GOL  A   2 ( 4.9A)
 1.17A 4mdaA-3k50A:
undetectable		 4mdaA-3k50A:
21.28
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.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 6 GLU A 328
THR A 323
THR A 389
ASN A 335
 None
 1.37A 4pfjB-3k50A:
3.0		 4pfjB-3k50A:
22.08
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 9 ALA A 353
THR A 354
MET A 329
GLY A 258
GLY A 259
 None
 1.12A 4qwuK-3k50A:
undetectable
4qwuL-3k50A:
undetectable		 4qwuK-3k50A:
19.51
4qwuL-3k50A:
19.46
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.
5IFU_A_GBMA801_1
(PROLINE--TRNA LIGASE)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		5 / 12 LEU A 130
THR A 185
ILE A 162
GLY A 183
ILE A 182
 None
 1.21A 5ifuA-3k50A:
undetectable		 5ifuA-3k50A:
21.71
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 6 THR A 345
GLY A 344
GLU A 391
ILE A 418
 None
 0.96A 5kmfA-3k50A:
undetectable
5kmfC-3k50A:
undetectable		 5kmfA-3k50A:
22.28
5kmfC-3k50A:
22.28
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.
5OG9_A_TESA504_1
(-)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		4 / 8 VAL A 250
ILE A 343
THR A 423
LEU A 416
 None
 0.58A 5og9A-3k50A:
undetectable		 5og9A-3k50A:
22.42
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.
6NKN_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3k50 PUTATIVE S41
PROTEASE
(Bacteroides
fragilis) 		3 / 3 ARG A 324
PHE A 386
PHE A  82
 None
 1.09A 6nknC-3k50A:
undetectable
6nknJ-3k50A:
undetectable		 6nknC-3k50A:
19.27
6nknJ-3k50A:
9.18