PDB ID: 2z3c


Macromolecule:
REPLICASE POLYPROTEIN 1AB
(PP1AB)

Source Organism:
SARSr-CoV

Gene names:
rep

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2z3c'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
4UHX_A_LZUA3008_1
(ALDEHYDE OXIDASE)		Thioridazine4 / 8
GLU A  55
ASP A  56
ARG A  60
PRO A  52
1.65A13.05
None
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		Fulvestrant5 / 12
TYR A  54
LEU A  87
LEU A  58
LEU B 310
HIS A  41
1.45A20.14
None
None
None
Z3E  B 309 ( 4.1A)
ECQ  B 311 (-4.1A)
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		Acetic acid3 / 3
ARG A  88
SER A  81
TYR A  37
1.53A18.39
None
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.
4UHX_A_RTZA3009_1
(ALDEHYDE OXIDASE)		Thioridazine4 / 8
GLU A  55
ASP A  56
ARG A  60
PRO A  52
1.65A13.05
None
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 8
VAL A 247
CYH A 265
LEU A 242
ILE A 249
ASP A 245
1.57A23.17
None
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
VAL A  20
LEU A  30
GLY A  29
THR A  35
LEU A  75
1.46A22.46
None
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.
2QQC_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
MET A  49
GLN A 189
LEU B 310
ASP A 187
1.09A17.67
10.92
None
None
Z3E  B 309 ( 4.1A)
None
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.
6GNG_A_QPSA601_1
(-)		Acarbose5 / 12
LEU B 310
VAL B 308
THR A  24
GLY A  23
ASP A 187
1.45A2.86
Z3E  B 309 ( 4.1A)
Z3E  B 309 ( 2.8A)
None
None
None
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.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		Acetic acid3 / 3
GLN A 127
THR A 111
ASP A 295
0.54A21.91
None
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.16A20.35
None
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.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU B 310
VAL B 308
LEU A 167
0.84A5.56
Z3E  B 309 ( 4.1A)
Z3E  B 309 ( 2.8A)
None
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.
4W9N_C_CCSC1548_0
(ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE)		Carbocisteine3 / 3
ALA A  70
TRP A  31
VAL A  68
1.57A24.87
None
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
LYS B 308
VAL A  68
LEU A  89
GLY A  29
SER A 147
1.55A18.18
Z3E  B 309 ( 1.3A)
None
None
None
None
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.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.09A20.35
None
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.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		Diflunisal5 / 11
ALA A 193
ALA A 194
LEU A 167
ALA A 173
VAL B 308
1.48A18.70
None
None
None
None
Z3E  B 309 ( 2.8A)
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 187
THR A  35
ARG A  88
GLY A 179
LEU A 177
1.35A21.29
None
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
VAL A  20
LEU A  30
GLY A  29
THR A  35
LEU A  75
1.47A22.22
None
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		Salicylic acid4 / 7
HIS A 164
ASP A 187
HIS A  41
VAL B 308
1.65A19.33
None
None
ECQ  B 311 (-4.1A)
Z3E  B 309 ( 2.8A)
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.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.14A22.85
None
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		S-Adenosylmethionine5 / 11
HIS A  41
LEU A 167
VAL B 308
HIS A 163
ALA A 173
1.52A17.32
ECQ  B 311 (-4.1A)
None
Z3E  B 309 ( 2.8A)
KCQ  B 311 (-3.8A)
None
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.09A20.35
None
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.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		Cefmetazole5 / 12
GLY A 109
ASN A 203
ILE A 106
PHE A 294
ARG A 298
1.78A19.27
None
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.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.10A19.95
None