PDB ID: 2z9k


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2z9k'

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.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG A  60
ASP A  48
ASP A  56
1.10A14.61
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.31A19.80
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.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
ILE A 200
PHE A 291
ARG A 298
GLN A 127
SER A 284
TYR A 239
1.76A18.54
None
None
DMS  A 813 (-4.6A)
DMS  A 813 (-3.3A)
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.
2EIL_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.70A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine5 / 12
LEU A  67
LEU A  87
LEU A  89
GLY A  79
HIS A  80
1.66A20.52
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.
3ABM_B_CHDB1086_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 11
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.67A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
2QD5_B_CHDB1103_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU A  58
ARG A  88
VAL A  77
GLY A  79
1.06A20.48
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.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)		Zidovudine4 / 8
LEU B 167
HIS B 163
GLY B 138
LYS A   1
1.24A18.70
None
DMS  B 802 (-3.8A)
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.
5X19_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.68A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
1NHZ_A_486A800_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A  27
ASN A  28
GLY A  29
LEU A  89
LEU A  67
1.61A19.88
DOZ  A 901 (-3.6A)
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.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine4 / 5
THR B 198
THR B 199
THR B 292
HIS B 246
1.36A20.00
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.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
THR B 225
VAL B 233
ASN B 231
GLU B 240
LEU B 205
1.68A20.36
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
LEU B  57
LEU B  50
ASN B  51
ARG B 188
1.31A23.54
8.82
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.
5V96_A_ADNA502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		Adenosine4 / 4
GLU B 240
THR B 243
THR B 225
LEU B 232
1.79A20.87
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 9
LEU B  75
VAL B  68
LEU B  27
MET B  17
LEU B  87
1.51A20.39
None
None
DOZ  B 902 ( 4.4A)
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.
5DZK_P_BEZP801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
SER B 123
ALA B 116
MET A   6
LEU B 141
1.71A22.61
3.45
None
None
DMS  A 813 (-4.3A)
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.
3KU1_A_SAMA226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A  75
GLY A  15
PRO A  99
GLY B  11
LEU A 115
1.22A22.55
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.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 10
CYH A 300
ILE A 213
VAL A 212
GLY A 215
LEU B 141
1.68A19.13
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.
5XDX_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.70A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
4R38_B_RBFB201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin4 / 8
THR B  98
LEU B  30
VAL B  68
LEU B  75
1.10A19.19
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		Ticagrelor4 / 8
SER B 123
TYR B 118
GLY A 302
ALA A 210
1.17A20.63
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.
5WZ1_B_SAMB601_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 138
GLY A   2
GLY A 283
VAL B 114
ILE B 136
1.14A20.85
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.
5Z84_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.74A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
ARG A 298
ASP A 153
LYS A 102
ILE A 152
1.40A22.55
DMS  A 813 (-4.6A)
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.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
VAL A  42
LEU A  67
PHE A  66
ILE A  43
THR A  26
1.39A20.33
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.
5WZ2_A_SAMA601_0
(NS5 MTASE)		S-Adenosylmethionine5 / 12
GLY B 138
GLY A   2
GLY A 283
VAL B 114
ILE B 136
1.19A20.85
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.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
MET B 264
ILE B 281
LEU B 282
GLY B 215
1.32A20.83
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.
3MDT_B_VORB506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole5 / 11
LEU A 205
VAL A 247
ALA A 260
THR A 224
ALA A 267
1.25A21.46
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid6 / 12
LEU B 268
LEU B 208
LEU B 272
ALA B 234
THR B 198
LEU B 250
1.72A17.45
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 12
PHE A 305
ASP A 295
THR A 292
GLU A 288
ALA A   7
1.63A22.54
None
DMS  A 813 ( 4.5A)
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.
1AJ6_A_NOVA1_1
(GYRASE)		Novobiocin5 / 9
ASN B 238
GLU B 240
ILE B 200
ALA B 129
THR B 201
1.78A20.00
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.
2VXA_G_RBFG200_1
(DODECIN)		Riboflavin4 / 8
HIS B 164
ARG B  40
THR B 190
GLN B 189
1.64A13.43
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.
2J9D_J_ACTJ1116_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		Acetic acid4 / 8
GLU A 288
ILE A 286
GLU B 288
ILE B 286
1.69A16.39
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.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
LEU A  27
LEU A  89
SER A  81
ILE A  43
LEU A  58
1.53A20.74
DOZ  A 901 (-3.6A)
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.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		Novobiocin5 / 11
ASP A 295
GLU A 290
ASP A 289
ARG B   4
ILE A 106
1.61A19.29
DMS  A 813 ( 4.5A)
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.
5X1F_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
PHE A 150
GLY A 149
GLN A 127
GLU A 290
THR A 292
1.63A14.33
20.23
22.78
None
None
DMS  A 813 (-3.3A)
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 12
ILE A 213
LEU A 220
ARG A 279
ALA A 210
PHE A   3
1.24A22.95
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		Rifapentine5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.63A21.09
None
None
None
DMS  A 813 (-3.9A)
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.28A19.32
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib4 / 4
ASN B 119
SER A   1
LEU B 141
THR B  26
1.73A19.58
None
DMS  B 802 ( 4.1A)
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.
3AG2_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.66A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B   2
GLY A 170
ALA B 211
ALA B 210
THR B 304
1.24A23.15
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.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 7
LEU A 208
THR A 199
LEU A 250
LEU A 253
ILE A 200
1.66A22.08
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.
3X2Q_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.78A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		Fludarabine5 / 12
SER B 147
GLY B 143
PHE B 140
ALA B 116
GLY A 302
1.65A22.70
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.
2V0Z_O_C41O1327_1
(RENIN)		Aliskiren5 / 12
GLY B 124
ALA A 210
PHE A   3
SER A 301
ILE A 152
1.29A22.29
DMS  A 813 ( 4.0A)
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.
2DYS_B_CHDB304_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 10
GLN A 127
GLU A 290
THR A 292
PHE A 150
GLY A 149
1.69A20.23
22.78
14.33
DMS  A 813 (-3.3A)
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.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		Paromomycin4 / 8
PHE A 159
SER A  10
GLU A 290
ASP A 295
1.32A23.40
None
None
None
DMS  A 813 ( 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.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A  75
GLY A  15
PRO A  99
GLY B  11
LEU A 115
1.28A22.55
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.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)		Flurbiprofen5 / 11
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.37A19.32
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		Suramin5 / 11
GLY A 149
ARG A 298
ALA A   7
VAL A 114
ILE A 106
1.52A20.19
None
DMS  A 813 (-4.6A)
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.
6BED_C_RFPC601_1
(SCAFFOLD PROTEIN D13)		Rifampicin5 / 11
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.62A21.09
None
None
None
DMS  A 813 (-3.9A)
None