Structure of PDB 4jgt Chain C Binding Site BS01

Receptor Information
>4jgt Chain C (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHVSAQWVAEALRAPRAGQPLQLLDASWYLPRDARREFEERHIPGAAFFD
IDQCSDRTSPYDHMLPGAEHFAEYAGRLGVGAATHVVIYDASDQGLYSAP
RVWWMFRAFGHHAVSLLDGGLRHWLRQNLPLSSGKSQPAPAEFRAQLDPA
FIKTYEDIKENLESRRFQVVDSRATGRFRGTEPEPRDGIEPGHIPGTVNI
PFTDFLSQEGLEKSPEEIRHLFQEKKVDLSKPLVATCGSGVTACHVALGA
YLCGKPDVPIYDGSWVEWYMRARPEDV
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain4jgt Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jgt Structure and Kinetic Analysis of H2S Production by Human Mercaptopyruvate Sulfurtransferase.
Resolution2.161 Å
Binding residue
(original residue number in PDB)		W36 R188 R197 C248 G249 S250
Binding residue
(residue number reindexed from 1)		W28 R177 R186 C237 G238 S239
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D63 H74 R188 C248 G249 S250 G251 V252 T253 A254 S275
Catalytic site (residue number reindexed from 1) D52 H63 R177 C237 G238 S239 G240 V241 T242 A243 S264
Enzyme Commision number 2.8.1.2: 3-mercaptopyruvate sulfurtransferase.
Gene Ontology
Molecular Function
GO:0004792 thiosulfate sulfurtransferase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0016783 sulfurtransferase activity
GO:0016784 3-mercaptopyruvate sulfurtransferase activity
GO:0042802 identical protein binding
Biological Process
GO:0000098 sulfur amino acid catabolic process
GO:0001822 kidney development
GO:0001889 liver development
GO:0009440 cyanate catabolic process
GO:0009636 response to toxic substance
GO:0019346 transsulfuration
GO:0021510 spinal cord development
GO:0070814 hydrogen sulfide biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0043005 neuron projection
GO:0045202 synapse
GO:0070062 extracellular exosome

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4jgt, PDBe:4jgt, PDBj:4jgt
PDBsum4jgt
PubMed23698001
UniProtP25325|THTM_HUMAN 3-mercaptopyruvate sulfurtransferase (Gene Name=MPST)

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