PDB ID: 2z3d


Macromolecule:
REPLICASE POLYPROTEIN 1AB
(PP1AB)

Source Organism:
SARSr-CoV

Gene names:
rep

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2z3d'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		Benzoic Acid3 / 3
HIS A  41
MET A  49
MET A 165
0.23A99.34
OCQ  I 905 (-3.5A)
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.
1PBK_A_RAPA225_1
(FKBP25)		Sirolimus5 / 12
ASP A 187
LEU A  86
GLY A 149
ALA I 904
PHE A 181
1.39A17.49
None
None
None
OCQ  I 905 ( 3.4A)
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.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 259
ALA A 267
LEU A 208
LEU A 220
LEU A 250
1.41A20.94
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA I 903
GLN A  19
GLY A 143
THR A  26
TYR A 118
1.67A1.33
ECQ  I 905 ( 4.2A)
None
ECQ  I 905 (-3.2A)
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.
5JSL_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 4
ALA I 903
GLY A 143
CYH A 145
HIS A  41
1.29A7.50
ECQ  I 905 ( 4.2A)
ECQ  I 905 (-3.2A)
OCQ  I 905 (-1.7A)
OCQ  I 905 (-3.5A)
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA I 903
GLY A 143
CYH A 145
HIS A  41
1.28A7.50
ECQ  I 905 ( 4.2A)
ECQ  I 905 (-3.2A)
OCQ  I 905 (-1.7A)
OCQ  I 905 (-3.5A)
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU I 902
PRO A 168
LEU A 167
1.19A4.92
ACE  I 901 ( 3.8A)
ACE  I 901 (-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.
3VYW_A_SAMA501_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A 161
GLY A 174
TYR A 182
ALA I 903
PHE A 140
1.62A21.47
None
None
None
ECQ  I 905 ( 4.2A)
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.
5I3B_A_HQEA303_1
(TYROSINASE)		Hydroquinone4 / 7
HIS A  41
HIS A 164
HIS A 163
ALA I 904
1.53A20.37
OCQ  I 905 (-3.5A)
None
OCQ  I 905 (-3.8A)
OCQ  I 905 ( 3.4A)
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.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 259
ALA A 267
LEU A 208
LEU A 220
LEU A 250
1.37A20.94
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.
2IVU_A_ZD6A3015_0
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		Vandetanib5 / 12
GLY A  79
VAL A  77
LEU A  67
VAL A  20
LEU A  87
1.05A21.33
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.68A22.01
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.
4CIP_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 4
ALA I 903
GLY A 143
CYH A 145
HIS A  41
1.29A7.50
ECQ  I 905 ( 4.2A)
ECQ  I 905 (-3.2A)
OCQ  I 905 (-1.7A)
OCQ  I 905 (-3.5A)
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.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		Acetic acid3 / 3
TYR A 209
VAL A 261
THR A 257
1.37A19.93
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.
3OGP_A_017A200_2
(FIV PROTEASE)		Darunavir5 / 10
LEU I 902
ALA A 194
VAL A 171
GLY A 183
LEU A 167
1.34A5.88
ACE  I 901 ( 3.8A)
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.
4P65_E_IPHE101_0
(INSULIN)		Phenol5 / 11
CYH A 265
ILE A 259
LEU A 250
LEU A 205
ALA A 206
1.49A6.82
10.82
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.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR A  25
HIS A 163
LEU A  27
HIS A  41
MET A  49
1.60A19.64
None
OCQ  I 905 (-3.8A)
None
OCQ  I 905 (-3.5A)
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.
5JLI_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA I 903
GLY A 143
CYH A 145
HIS A  41
1.26A7.50
ECQ  I 905 ( 4.2A)
ECQ  I 905 (-3.2A)
OCQ  I 905 (-1.7A)
OCQ  I 905 (-3.5A)
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.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA I 903
GLN A  19
GLY A 143
THR A  26
TYR A 118
1.62A1.33
ECQ  I 905 ( 4.2A)
None
ECQ  I 905 (-3.2A)
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.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA I 903
GLY A 143
CYH A 145
HIS A  41
1.28A7.50
ECQ  I 905 ( 4.2A)
ECQ  I 905 (-3.2A)
OCQ  I 905 (-1.7A)
OCQ  I 905 (-3.5A)
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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		Darunavir5 / 9
GLY A 195
ALA A 194
ASP A 197
GLY A 183
LEU I 902
1.54A16.43
None
None
None
None
ACE  I 901 ( 3.8A)
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 9
THR A 169
LEU A 167
ALA A 194
PHE A 185
LEU I 902
1.67A20.68
None
None
None
None
ACE  I 901 ( 3.8A)
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.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.64A20.94
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.
5JT4_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA I 903
GLY A 143
CYH A 145
HIS A  41
1.28A7.50
ECQ  I 905 ( 4.2A)
ECQ  I 905 (-3.2A)
OCQ  I 905 (-1.7A)
OCQ  I 905 (-3.5A)
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
TYR A 161
ALA I 904
PRO A  39
MET A  17
LEU A 177
1.75A20.46
None
OCQ  I 905 ( 3.4A)
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.
1FM9_A_9CRA201_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 259
ALA A 267
LEU A 208
LEU A 220
LEU A 250
1.45A22.01
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.
6A5Z_L_9CRL501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.69A22.01
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.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
VAL A 212
ALA A 211
VAL A 247
ALA A 267
ASP A 263
1.44A23.77
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		Zanamivir4 / 8
SER A 123
SER A 121
ASN A 119
GLN A  19
1.52A21.24
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.
5I3A_A_HQEA303_1
(TYROSINASE)		Hydroquinone4 / 7
HIS A  41
HIS A 164
HIS A 163
ALA I 904
1.50A20.37
OCQ  I 905 (-3.5A)
None
OCQ  I 905 (-3.8A)
OCQ  I 905 ( 3.4A)
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.
4P6S_A_DAHA305_1
(TYROSINASE)		Levodopa4 / 7
HIS A  41
HIS A 164
HIS A 163
ALA I 904
1.53A20.37
OCQ  I 905 (-3.5A)
None
OCQ  I 905 (-3.8A)
OCQ  I 905 ( 3.4A)
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU I 902
PRO A 168
LEU A 167
1.22A6.12
ACE  I 901 ( 3.8A)
ACE  I 901 (-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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ILE A 259
ALA A 267
PHE A 219
LEU A 220
ILE A 213
LEU A 250
1.65A21.41
None