Ligand ID: X8Z


Drugbank ID:
DB01197
(Captopril)


Indication:
For the treatment of essential or renovascular hypertension (usually administered with other drugs, particularly thiazide diuretics). May be used to treat congestive heart failure in combination with other drugs (e.g. cardiac glycosides, diuretics, β-adrenergic blockers). May improve survival in patients with left ventricular dysfunction following myocardial infarction. May be used to treat nephropathy, including diabetic nephropathy.

Get human targets for X8Z in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'X8Z' AND SARS-RELATED PROTEINS ONLY

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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP F  17
GLU J  21
GLU I  18
GLY A  28
ASN F  20
1.69A8.44
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 8
VAL C 206
HIS C 268
CYH C 274
ASN C 236
1.32A20.00
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 8
VAL G 137
TRP G 187
ASP G 139
ASN G 145
1.54A20.85
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLU B 290
GLU B 288
GLY A 283
GLY A   2
ILE B 286
1.55A21.63
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.69A20.54
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.73A19.94
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 8
VAL A  25
HIS A  87
CYH A  93
ASN A  55
1.31A19.79
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
VAL B   3
HIS B  48
HIS B  51
ASN B  50
1.53A21.45
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
VAL T  57
HIS T  48
CYH T  46
ASN S  40
1.47A18.55
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.71A20.54
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.70A20.54
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 8
HIS B 172
HIS B 163
CYH B 145
ASN B 142
1.66A21.23
None
XP1  B1304 (-4.4A)
XP1  B1304 (-1.8A)
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
HIS B  80
ASP A 102
GLY A  71
ASN A 101
ILE A 112
1.76A13.57
None
None
SAH  A1293 (-3.8A)
SAH  A1293 ( 4.7A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2xyr NSP10
(SARSr-CoV)		4 / 8
VAL B  97
HIS B  48
CYH B  46
ASN B  62
1.72A18.92
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		2xyv NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
HIS B  80
ASP A 102
GLY A  71
ASN A 101
ILE A 112
1.77A13.57
None
None
SAH  A1300 (-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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		2xyv NSP10
(SARSr-CoV)		4 / 8
VAL B  97
HIS B  48
CYH B  46
ASN B  62
1.70A18.47
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS A 374
GLU A 375
HIS A 378
GLU A 402
PHE A 274
1.18A42.67
 ZN  A 901 (-3.2A)
ZN  A 901 (-3.8A)
ZN  A 901 (-3.4A)
ZN  A 901 (-2.4A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS A 374
GLU A 375
HIS A 378
GLU A 402
PHE A 274
1.19A35.96
 ZN  A 901 (-3.2A)
ZN  A 901 (-3.8A)
ZN  A 901 (-3.4A)
ZN  A 901 (-2.4A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS A 374
GLU A 375
HIS A 378
GLU A 402
PHE A 274
1.03A36.20
 ZN  A 901 (-4.3A)
ZN  A 901 (-3.1A)
ZN  A 901 (-3.7A)
ZN  A 901 (-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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ASP A 289
GLU A 288
GLU A 290
ARG B   4
GLY B   2
1.63A21.63
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
HIS A 172
HIS B 172
SER B 156
THR B 169
GLU B 162
1.44A21.07
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		3r24 NSP10 AND NSP11
(SARSr-CoV)		4 / 8
VAL B  97
HIS B  48
CYH B  46
ASN B  62
1.74A18.91
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		5 / 11
HIS B  80
ASP A 102
GLY A  71
ASN A 101
ILE A 112
1.72A16.23
None
None
SAM  A 302 (-3.7A)
SAM  A 302 (-4.0A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
HIS A 401
HIS A 374
GLU A 402
GLU A 375
PHE A 315
1.35A36.33
None
ZN  A 901 (-3.5A)
ZN  A 901 (-2.3A)
ZN  A 901 (-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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
VAL B 343
HIS B 505
ASN B 508
HIS B 345
1.74A17.90
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		7 / 11
HIS B 374
GLU B 375
HIS B 378
GLU B 402
PHE B 274
HIS B 505
TYR B 515
1.33A36.67
 ZN  B 901 (-3.9A)
ZN  B 901 (-3.6A)
ZN  B 901 (-4.1A)
ZN  B 901 (-2.6A)
None
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		7 / 11
HIS B 374
GLU B 375
HIS B 378
GLU B 402
PHE B 274
HIS B 505
TYR B 515
1.22A42.69
 ZN  B 901 (-3.9A)
ZN  B 901 (-3.6A)
ZN  B 901 (-4.1A)
ZN  B 901 (-2.6A)
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.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		3snb 3C-LIKE PROTEINASE
PEPTIDE ALDEHYDE
INHIBITOR AC-DSFDQ-H
(SARSr-CoV)		5 / 9
ASP H   4
HIS A 163
GLY A 143
ASN A 142
HIS A  41
1.64A3.91
None
ECC  H   5 ( 3.9A)
ECC  H   5 ( 4.4A)
None
ECC  H   5 ( 4.9A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
VAL D 263
HIS D 283
CYH D 279
HIS D 264
1.76A19.11
None
None
ZN  D 602 (-2.4A)
ZN  D 602 (-2.2A)
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
VAL B 244
HIS B 260
CYH B 261
ASN B 256
HIS B 257
1.66A20.73
None
None
ZN  B 602 (-2.0A)
None
ZN  B 602 (-3.2A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
VAL D 263
HIS D 283
CYH D 279
HIS D 264
1.69A19.26
None
None
ZN  D 602 (-2.3A)
ZN  D 602 (-2.1A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		5f22 NSP8
(SARSr-CoV)		4 / 8
VAL B 137
TRP B 187
ASP B 139
ASN B 145
1.65A17.95
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
VAL B 290
TRP B 292
ASN B 422
HIS B 424
1.41A19.13
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.
3LUS_B_X8ZB1001_1
(ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
ASN D 147
ALA D 146
TYR D  84
GLU D 135
PHE D 148
1.75A17.38
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		5x4r S PROTEIN
(MERS-CoV)		5 / 11
ASP A 248
GLU A 252
GLY A 275
GLY A 276
ILE A 250
1.72A22.14
None
None
None
None
NAG  A 502 ( 4.3A)
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		5x59 S PROTEIN
(MERS-CoV)		5 / 11
ASP B 248
GLU B 252
GLY B 275
GLY B 276
ILE B 250
1.71A15.33
None
None
None
None
NAG  B1402 ( 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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		5x59 S PROTEIN
(MERS-CoV)		5 / 11
HIS A 208
ASP A 213
HIS A 298
SER A 224
THR A 206
1.75A11.99
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		6cs2 ACE2
(Homo
sapiens)		5 / 11
HIS D 374
GLU D 375
HIS D 378
GLU D 402
TYR D 515
1.40A36.13
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		6cs2 ACE2
(Homo
sapiens)		5 / 11
HIS D 374
GLU D 375
HIS D 378
GLU D 402
TYR D 515
1.46A42.67
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		6cs2 ACE2
(Homo
sapiens)		5 / 11
HIS D 374
GLU D 375
HIS D 378
GLU D 402
TYR D 515
1.43A36.44
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6jyt HELICASE
(SARSr-CoV)		4 / 8
VAL A   6
HIS A  39
CYH A  19
ASN A 107
1.75A18.08
None
ZN  A 703 (-3.1A)
ZN  A 703 (-2.2A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		6lzg ACE2
(Homo
sapiens)		5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.39A42.65
None
ZN  A 704 (-3.3A)
ZN  A 704 ( 4.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-2.1A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		6lzg ACE2
(Homo
sapiens)		5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.50A36.20
None
ZN  A 704 (-3.3A)
ZN  A 704 ( 4.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-2.1A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		6lzg ACE2
(Homo
sapiens)		5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.40A35.96
None
ZN  A 704 (-3.3A)
ZN  A 704 ( 4.3A)
ZN  A 704 (-3.3A)
ZN  A 704 (-2.1A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		6m0j ACE2
(Homo
sapiens)		5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.65A36.33
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		6m0j ACE2
(Homo
sapiens)		5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.58A42.67
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		6m0j ACE2
(Homo
sapiens)		5 / 11
HIS A 345
HIS A 374
GLU A 375
HIS A 378
GLU A 402
0.71A36.67
None
ZN  A 901 (-3.5A)
ZN  A 901 (-3.9A)
ZN  A 901 (-3.5A)
ZN  A 901 (-2.4A)
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		6m18 ACE2
(Homo
sapiens)		5 / 11
HIS D 345
HIS D 374
GLU D 375
HIS D 378
GLU D 402
0.69A28.68
None
None
ZN  D 914 (-3.4A)
ZN  D 914 ( 4.6A)
ZN  D 914 (-4.0A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		6m18 ACE2
(Homo
sapiens)		5 / 11
HIS B 345
HIS B 374
GLU B 375
HIS B 378
GLU B 402
0.61A36.64
None
None
ZN  B 914 (-3.4A)
ZN  B 914 ( 4.6A)
ZN  B 914 (-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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		6m18 ACE2
(Homo
sapiens)		5 / 11
HIS B 345
HIS B 374
GLU B 375
HIS B 378
GLU B 402
0.65A28.97
None
None
ZN  B 914 (-3.4A)
ZN  B 914 ( 4.6A)
ZN  B 914 (-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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6nur NSP12
(SARSr-CoV)		4 / 8
VAL A 493
HIS A 572
CYH A 487
ASN A 568
1.74A14.06
None
None
ZN  A1002 (-2.3A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6nur NSP8
(SARSr-CoV)		4 / 8
VAL B 132
TRP B 182
ASP B 134
ASN B 140
1.44A21.18
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.
3LUS_B_X8ZB1001_1
(ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN)		6vw1 ACE2
(Homo
sapiens)		5 / 9
ALA B 413
PRO B 415
TYR B 587
PRO B 590
GLU B 435
1.76A13.48
None