PDB ID: 2z3e


Macromolecule:
REPLICASE POLYPROTEIN 1AB
(PP1AB)

Source Organism:
SARSr-CoV

Gene names:
rep

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2z3e'

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.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
PHE A 181
LEU A 167
VAL I   2
THR A 190
1.40A20.47
None
None
Z3E  I   3 ( 2.7A)
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 8
LEU A  89
VAL A  36
GLY A  29
GLN A  19
THR A  21
1.57A19.11
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
ALA A 173
ASP A 187
LEU I   4
LEU A 167
ALA A 193
1.41A17.67
None
None
Z3E  I   3 ( 4.0A)
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.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		Darunavir6 / 12
GLY A 195
ALA A 194
ASP A 197
VAL A 171
GLY A 183
VAL I   2
1.73A15.81
None
None
None
None
None
Z3E  I   3 ( 2.7A)
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone5 / 9
PHE A 103
ASN A  28
VAL A  18
GLY A 146
VAL A  36
1.59A21.41
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.
4W5T_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 140
VAL A 114
ALA A 116
PHE A 150
1.78A15.87
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		Indinavir6 / 12
GLY A 195
ALA A 194
ASP A 197
VAL A 171
GLY A 183
VAL I   2
1.78A15.62
None
None
None
None
None
Z3E  I   3 ( 2.7A)
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib4 / 5
LEU A  30
VAL I   2
LEU A 167
ARG A 188
1.48A23.77
None
Z3E  I   3 ( 2.7A)
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.
3LP9_D_SPMD230_1
(LS-24)		Spermine3 / 3
GLU A 240
GLU A 290
ASN A 203
1.46A20.00
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.
3EM6_A_017A200_1
(PROTEASE)		Darunavir5 / 8
GLY A 195
ALA A 194
ASP A 197
GLY A 183
VAL I   2
1.62A17.13
None
None
None
None
Z3E  I   3 ( 2.7A)
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 9
PHE A 219
ALA A 267
ALA A 266
LEU A 242
LEU A 220
1.59A19.17
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A 183
VAL I   2
ILE A 136
HIS A 164
LEU I   4
1.42A21.81
None
Z3E  I   3 ( 2.7A)
None
None
Z3E  I   3 ( 4.0A)
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid5 / 12
ILE A 213
GLY A 258
ALA A 260
SER A 254
LEU A 250
1.62A19.28
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU I   4
ASP A 187
MET A  49
ARG A  40
1.35A4.00
16.67
Z3E  I   3 ( 4.0A)
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
LEU A  67
PHE A  66
LEU A  89
SER A  65
ASN A  63
1.50A22.29
None
None
None
None
GOL  A 802 (-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.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
GLY A 179
PHE A 181
LEU I   4
LEU A  27
GLY A 146
1.14A22.29
None
None
Z3E  I   3 ( 4.0A)
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.
3TKG_C_ROCC901_3
(PROTEASE)		Saquinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.02A18.56
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.
4ASD_A_BAXA1500_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 12
LEU A 167
VAL I   2
PHE A 185
GLY A 174
LEU A  57
1.28A20.66
None
Z3E  I   3 ( 2.7A)
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU I   4
ASP A 187
MET A  49
ARG A  40
1.32A4.08
23.08
Z3E  I   3 ( 4.0A)
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		Benzoic Acid5 / 12
MET A 165
PRO A  52
LEU I   4
VAL I   2
GLN A 192
1.59A21.96
None
None
Z3E  I   3 ( 4.0A)
Z3E  I   3 ( 2.7A)
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
PHE A 103
VAL A 157
PRO A  99
THR A  98
SER A  94
1.52A19.17
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.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 7
LEU A 242
ASN A 228
LEU A 227
LEU A 262
1.12A4.05
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU I   4
ASP A 187
MET A  49
ARG A  40
1.30A4.08
23.08
Z3E  I   3 ( 4.0A)
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		Camphor5 / 7
PHE A 103
TYR A 101
THR A  98
VAL A  36
VAL A 148
1.74A21.20
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.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY A 120
VAL A  42
PRO A  39
CYH A  38
GLY A  29
1.62A19.77
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.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 8
LEU I   4
ASP A 187
MET A  49
ARG A  40
1.31A4.08
23.08
Z3E  I   3 ( 4.0A)
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		Zanamivir4 / 8
SER A 123
SER A 121
ASN A 119
GLN A  19
1.57A21.24
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU A 288
GLU A 290
PHE A 291
VAL A 125
1.34A20.00
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_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 12
LEU A 167
VAL I   2
PHE A 185
GLY A 174
LEU A  57
1.28A23.17
None
Z3E  I   3 ( 2.7A)
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.11A16.78
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_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 8
MET A  49
GLN A 189
LEU I   4
ASP A 187
1.14A17.67
10.92
None
ACE  I   1 (-4.5A)
Z3E  I   3 ( 4.0A)
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 6
HIS A 163
VAL I   2
LEU A 167
GLN A 189
1.31A14.39
KCQ  I   6 (-3.8A)
Z3E  I   3 ( 2.7A)
None
ACE  I   1 (-4.5A)
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
PHE A 181
LEU A 167
VAL I   2
THR A 190
1.42A20.56
None
None
Z3E  I   3 ( 2.7A)
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		Zanamivir4 / 7
SER A 123
SER A 121
ASN A 119
GLN A  19
1.48A21.24
None