SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2w2k'

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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		4 / 8 GLY B 258
ASN B 254
TYR B 230
VAL B 169
 None
 0.84A 1dbbH-2w2kB:
undetectable
1dbbL-2w2kB:
undetectable		 1dbbH-2w2kB:
20.49
1dbbL-2w2kB:
21.35
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 ILE B  30
ALA B  32
LEU B  44
ARG B 102
LEU B  81
 None
 1.17A 1ddsB-2w2kB:
2.4		 1ddsB-2w2kB:
18.10
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.
1Q23_A_FUAA702_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 PHE B 129
PHE B 242
LEU B 217
VAL B 191
ALA B 182
 None
 1.26A 1q23A-2w2kB:
undetectable
1q23B-2w2kB:
undetectable		 1q23A-2w2kB:
21.08
1q23B-2w2kB:
21.08
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 9 ASP B 239
LEU B 214
VAL B 224
ILE B 252
PHE B 243
 None
 1.28A 1q6iA-2w2kB:
undetectable		 1q6iA-2w2kB:
24.04
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.
2BFM_A_TOPA1290_1
(PTERIDINE REDUCTASE
1)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 9 PHE B  84
LEU B   9
LEU B  44
LEU B  73
TYR B  49
 None
 1.40A 2bfmA-2w2kB:
6.4
2bfmD-2w2kB:
1.9		 2bfmA-2w2kB:
21.19
2bfmD-2w2kB:
21.19
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.
3JB3_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 GLY B  88
ALA B 112
ALA B  85
VAL B  60
ASN B  62
 None
 0.94A 3jb3A-2w2kB:
undetectable		 3jb3A-2w2kB:
16.89
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 PHE B  91
TYR B  67
PHE B 106
ALA B  87
THR B 320
 None
 1.25A 3ld6A-2w2kB:
undetectable		 3ld6A-2w2kB:
21.88
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.
3OZK_A_T44A128_1
(TRANSTHYRETIN)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 9 LEU B 335
ALA B 107
LEU B 319
SER B 109
VAL B  83
 None
 1.43A 3ozkA-2w2kB:
undetectable		 3ozkA-2w2kB:
17.60
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.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 PHE B 313
THR B 312
GLY B 113
ALA B 116
GLY B 306
 None
 1.11A 3tegA-2w2kB:
undetectable		 3tegA-2w2kB:
20.99
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.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		4 / 7 ASN B 254
ILE B 238
PHE B 242
MET B 246
 None
 0.95A 3tvxB-2w2kB:
undetectable		 3tvxB-2w2kB:
20.80
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 GLY B 279
HIS B 283
ASN B 254
LEU B 124
SER B 221
 None
 1.30A 4pooA-2w2kB:
2.0		 4pooA-2w2kB:
21.43
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.
4XT8_A_TMQA302_1
(RV2671)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 ILE B 305
GLY B 307
ASP B 281
ARG B 257
THR B 302
 None
 1.32A 4xt8A-2w2kB:
undetectable		 4xt8A-2w2kB:
24.21
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		4 / 5 ALA B 138
ARG B 149
HIS B 298
GLU B 153
 None
 1.20A 5a06C-2w2kB:
6.7
5a06D-2w2kB:
6.8		 5a06C-2w2kB:
22.07
5a06D-2w2kB:
22.07
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.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		4 / 6 SER B 109
GLY B  10
ASP B  11
GLY B  63
 None
 0.93A 5cdpA-2w2kB:
undetectable
5cdpB-2w2kB:
undetectable		 5cdpA-2w2kB:
22.98
5cdpB-2w2kB:
20.98
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.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 10 ASP B 239
VAL B 224
ILE B 252
LEU B 266
PHE B 243
 None
 1.09A 5hw8C-2w2kB:
undetectable
5hw8H-2w2kB:
undetectable		 5hw8C-2w2kB:
18.37
5hw8H-2w2kB:
18.37
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 CYH B 223
THR B 117
ALA B 121
ILE B 125
ILE B 178
 None
 1.02A 5itzB-2w2kB:
undetectable		 5itzB-2w2kB:
19.78
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 CYH B 223
THR B 117
ALA B 121
ILE B 125
ILE B 178
 None
 1.00A 5mioB-2w2kB:
undetectable		 5mioB-2w2kB:
19.78
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 2w2k D-MANDELATE
DEHYDROGENASE
(Rhodotorula
graminis) 		5 / 12 LEU B 237
VAL B 228
LEU B 124
THR B 117
LEU B 120
 None
 1.05A 6b54A-2w2kB:
undetectable		 6b54A-2w2kB:
23.03