Ligand ID: CYS


Drugbank ID:
DB00151
(L-Cysteine)


Indication:
For the prevention of liver damage and kidney damage associated with overdoses of acetaminophen

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CYS' 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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 8
ALA D 234
HIS D 276
ASN D 219
THR D 239
1.78A17.66
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 8
ALA B  53
HIS B  95
ASN B  38
THR B  58
1.74A19.27
APR  B 477 ( 3.9A)
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ALA B 154
HIS B 172
ASN B 157
ARG B  83
1.57A20.90
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
ARG A  32
GLU A  30
PHE A  20
1.44A10.96
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 8
ALA A  65
HIS A  70
ASN A  69
HIS A   2
1.43A16.38
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2w2g NSP3
(SARSr-CoV)		4 / 8
ASN A 616
ARG B 473
HIS A 613
THR A 612
1.60A21.05
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ALA A 204
HIS A 225
ARG A 232
THR A 172
1.47A21.14
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ALA A 204
HIS A 225
ARG A 232
THR A 172
1.45A20.90
None
None
None
NA  A1295 (-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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
ALA A 403
HIS A 401
ARG A 518
HIS A 374
1.73A21.22
None
None
None
ZN  A 901 (-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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG A  88
GLU A 178
PHE A 103
1.79A20.75
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3e9s NSP3
(SARSr-CoV)		4 / 8
ALA A 154
HIS A 172
ARG A  83
HIS A 176
1.74A21.04
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ALA A 129
ARG A 131
ARG B   4
THR A 292
1.61A22.09
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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		4 / 5
TYR D   7
GLY F   0
TYR D 171
TYR D  59
1.64A22.54
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
ALA A 154
HIS A 172
ASN A 157
ARG A  83
1.53A20.85
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
ALA A 204
HIS A 225
ARG A 232
THR A 172
1.62A21.18
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
ALA A 246
HIS A 188
ARG A 202
HIS A 192
1.69A19.52
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG B  88
GLU B 178
PHE B 103
1.60A20.60
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
ALA A 108
ASN A 110
HIS A  90
THR A  91
1.77A20.61
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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
TYR D  69
GLY D 202
ARG D 205
TYR D 224
1.80A15.12
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
ALA D 488
HIS D 486
ASN D 489
THR D 475
1.77A22.55
None
None
None
ZN  D 603 ( 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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
TYR D  69
GLY D 202
ARG D 205
TYR D 224
1.73A15.28
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ALA D 108
ASN D 110
HIS D  90
THR D  91
1.75A20.47
None
AYE  E  76 ( 4.3A)
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ALA D 154
ASN D 157
ARG D  83
HIS D 176
1.38A21.04
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ALA C 430
ASN C 424
ARG C 426
THR C 487
1.67A16.27
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
ASN A 222
ARG A 181
HIS A 298
THR A 206
1.76A20.87
NAG  A 503 (-1.9A)
NAG  A 503 (-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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ALA C  91
HIS C 181
ASN C  96
ARG C  99
1.41A15.42
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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		5x5f S PROTEIN
(MERS-CoV)		4 / 5
TYR C 332
GLY B 624
ARG B 626
TYR B 641
1.64A9.80
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 8
ASN B 222
ARG B 181
HIS B 298
THR B 206
1.78A14.62
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 8
ALA A 154
HIS A 172
ASN A 157
ARG A  83
HIS A 176
1.69A20.94
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG C1073
GLU C1074
PHE C1103
1.68A18.80
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ALA B  91
HIS B 181
ASN B  96
ARG B 183
1.79A16.27
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ALA C  91
ASN C  96
ARG C 183
THR C  71
1.77A16.04
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6jyt HELICASE
(SARSr-CoV)		4 / 8
ALA B 123
ASN B 423
LYS B 131
THR B 125
1.75A20.79
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6lzg ACE2
(Homo
sapiens)		4 / 8
ALA A 348
HIS A 345
HIS A 374
THR A 371
1.73A21.42
None
None
ZN  A 704 (-3.3A)
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6m0j ACE2
(Homo
sapiens)		4 / 8
ALA A 348
HIS A 345
HIS A 374
THR A 371
1.70A20.87
None
None
ZN  A 901 (-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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6m1d ACE2
(Homo
sapiens)		4 / 8
ALA B 348
HIS B 345
HIS B 374
THR B 371
1.43A19.76
None