SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4oaq'

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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 5 HIS A  36
GLU A 147
ALA A 145
SER A  99
 None
 1.41A 1errA-4oaqA:
undetectable
1errB-4oaqA:
undetectable		 1errA-4oaqA:
20.16
1errB-4oaqA:
20.16
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.
1LQT_A_ACTA1871_0
(FPRA)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 7 PHE A  12
ALA A 365
PHE A 366
PHE A 362
 None
 1.22A 1lqtA-4oaqA:
undetectable		 1lqtA-4oaqA:
21.91
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.
1LQU_A_ACTA1428_0
(FPRA)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 7 PHE A  12
ALA A 365
PHE A 366
PHE A 362
 None
 1.21A 1lquA-4oaqA:
undetectable		 1lquA-4oaqA:
21.91
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.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 6 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.77A 1mt1G-4oaqA:
undetectable
1mt1J-4oaqA:
undetectable		 1mt1G-4oaqA:
9.79
1mt1J-4oaqA:
13.90
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.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 7 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.82A 1mt1H-4oaqA:
undetectable
1mt1K-4oaqA:
undetectable		 1mt1H-4oaqA:
13.90
1mt1K-4oaqA:
9.79
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.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 6 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.80A 1n13H-4oaqA:
undetectable
1n13K-4oaqA:
undetectable		 1n13H-4oaqA:
13.90
1n13K-4oaqA:
9.79
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 7 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.78A 1n13G-4oaqA:
undetectable
1n13J-4oaqA:
undetectable		 1n13G-4oaqA:
9.79
1n13J-4oaqA:
13.90
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.
1P9G_A_ACTA42_0
(EAFP 2)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		3 / 3 CYH A 102
ARG A 129
CYH A 116
 ZN  A 403 (-2.3A)
None
ZN  A 403 (-2.3A)
 1.30A 1p9gA-4oaqA:
undetectable		 1p9gA-4oaqA:
7.56
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		5 / 11 GLY A 209
ALA A 210
GLY A 181
ILE A 177
VAL A 189
 None
 1.09A 2fxdA-4oaqA:
undetectable		 2fxdA-4oaqA:
13.03
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.
2QD4_A_CHDA803_0
(FERROCHELATASE)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 5 LEU A 176
PRO A 175
LEU A 254
ILE A 191
 None
 0.82A 2qd4A-4oaqA:
2.1		 2qd4A-4oaqA:
19.65
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.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 8 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.69A 2qqdB-4oaqA:
undetectable
2qqdC-4oaqA:
undetectable		 2qqdB-4oaqA:
13.90
2qqdC-4oaqA:
18.21
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.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 8 LYS A  31
ASP A  37
ARG A 129
ALA A 120
 None
 1.27A 2rk8A-4oaqA:
undetectable		 2rk8A-4oaqA:
20.13
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.
3GGU_B_017B201_1
(PROTEASE)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		5 / 12 GLY A 162
ALA A 163
GLY A  75
THR A 360
VAL A 358
 None
 0.93A 3gguA-4oaqA:
undetectable		 3gguA-4oaqA:
15.06
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		5 / 11 ALA A 210
ALA A 184
VAL A 189
ALA A 230
GLY A 229
 None
 0.94A 3mg0K-4oaqA:
undetectable
3mg0L-4oaqA:
undetectable		 3mg0K-4oaqA:
20.80
3mg0L-4oaqA:
22.38
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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		6 / 9 GLY A 209
ALA A 210
GLY A 181
ILE A 177
LEU A 254
VAL A 189
 None
 1.23A 3u7sB-4oaqA:
undetectable		 3u7sB-4oaqA:
13.54
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		5 / 12 ILE A 170
ALA A 168
PHE A 204
LEU A 165
GLY A 196
 None
None
None
None
NDP  A 401 (-3.5A)
 1.07A 4ls7A-4oaqA:
undetectable
4ls7B-4oaqA:
undetectable		 4ls7A-4oaqA:
21.66
4ls7B-4oaqA:
21.66
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.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		3 / 3 LEU A  40
PHE A   9
ILE A  78
 None
 0.65A 5dzk1-4oaqA:
undetectable
5dzkF-4oaqA:
undetectable
5dzkM-4oaqA:
undetectable		 5dzk1-4oaqA:
0.65
5dzkF-4oaqA:
19.73
5dzkM-4oaqA:
19.89
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		3 / 3 VAL A 281
ARG A 328
PRO A 164
 NDP  A 401 (-3.9A)
None
None
 0.85A 5koxA-4oaqA:
undetectable		 5koxA-4oaqA:
21.93
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.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4oaq R-SPECIFIC CARBONYL
REDUCTASE
(Candida
parapsilosis) 		4 / 5 LEU A 272
PHE A 252
LEU A 269
PHE A 297
 None
 1.18A 5x1fC-4oaqA:
undetectable
5x1fJ-4oaqA:
undetectable		 5x1fC-4oaqA:
20.16
5x1fJ-4oaqA:
13.38