Structure of PDB 1okg Chain A Binding Site BS01

Receptor Information
>1okg Chain A (length=362) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APKHPGKVFLDPSEVADHLAEYRIVDCRYSLKIKDHGSIQYAKEHVKSAI
RADVDTNLSKLVPTSTARHPLPPCAEFIDWCMANGMAGELPVLCYDDECG
AMGGCRLWWMLNSLGADAYVINGGFQACKAAGLEMESGEPSSLPRPATHW
PFKTAFQHHYLVDEIPPQAIITDARSADRFASTVRPYAADKMPGHIEGAR
NLPYTSHLVTRGDGKVLRSEEEIRHNIMTVVQADLSSFVFSCGSGVTACI
NIALVHHLGLGHPYLYCGSWSEYSGLFRPPIMRSIIDDYGMCMQMQTPSL
GDNPKANLDTMTLKVDGAPCERPDAEVQSAATHLHAGEAATVYFKSGRVV
TIEVPVVPNLEA
Ligand information
Ligand IDSO3
InChIInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKeyLSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0[O-]S(=O)[O-]
ACDLabs 10.04[O-]S([O-])=O
FormulaO3 S
NameSULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain1okg Chain A Residue 1374 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1okg The Crystal Structure of Leishmania Major 3-Mercaptopyruvate Sulfurtransferase: A Three-Domain Architecture with a Serine Protease-Like Triad at the Active Site
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R74 R185 C253 G254
Binding residue
(residue number reindexed from 1)		R68 R179 C242 G243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D61 H75 R185 C253 G254 S255 G256 V257 T258 S280
Catalytic site (residue number reindexed from 1) D55 H69 R179 C242 G243 S244 G245 V246 T247 S269
Enzyme Commision number 2.8.1.2: 3-mercaptopyruvate sulfurtransferase.
Gene Ontology
Molecular Function
GO:0004792 thiosulfate sulfurtransferase activity
GO:0016740 transferase activity
GO:0016783 sulfurtransferase activity
GO:0016784 3-mercaptopyruvate sulfurtransferase activity
Biological Process
GO:0019343 cysteine biosynthetic process via cystathionine
GO:0019499 cyanide metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1okg, PDBe:1okg, PDBj:1okg
PDBsum1okg
PubMed12952945
UniProtQ7K9G0

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