Structure of PDB 5wqk Chain A

Receptor sequence
>5wqkA (length=293) Species: 10090 (Mus musculus) [Search protein sequence]
QLFRALVSAQWVAEALKAPRSSQPLKLLDASWYLPKLGRDARREFEERHI
PGAAFFDIDRSSDHTSPYDHMLPNATHFADYAGSLGVSAATHVVIYDGSD
QGLYSAPRVWWMFRAFGHHSVSLLDGGFRHWLNQNLPISSGKSHSEPAEF
SAQLDPSFIKTHEDILENLDARRFQVVDARAAGRFQGTQPEPRDGIEPGH
IPGSVNIPFTEFLTNEGLEKSPEEIKRLFKEKKVDLSKPLVATCGSGVTA
SHVVLGAFLSGKSDVPVYDGSWVEWYMRAQPEHIISEGRGKTQ
3D structure
PDB5wqk Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
ChainA
Resolution1.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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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) D59 H70 R184 C244 G245 S246 G247 V248 T249 A250 S271
Enzyme Commision number 2.8.1.2: 3-mercaptopyruvate sulfurtransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 7NC A W36 P39 D73 H74 R188 P196 R197 C248 G249 S250 V252 W32 P35 D69 H70 R184 P192 R193 C244 G245 S246 V248 MOAD: Kd=0.5uM
PDBbind-CN: -logKd/Ki=6.30,Kd=0.5uM
Gene Ontology
Molecular Function
GO:0004792 thiosulfate sulfurtransferase activity
GO:0016740 transferase activity
GO:0016783 sulfurtransferase activity
GO:0016784 3-mercaptopyruvate sulfurtransferase activity
GO:0042802 identical protein binding
Biological Process
GO:0001822 kidney development
GO:0001889 liver development
GO:0019346 transsulfuration
GO:0021510 spinal cord development
GO:0070814 hydrogen sulfide biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0043005 neuron projection
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5wqk, PDBe:5wqk, PDBj:5wqk
PDBsum5wqk
PubMed28079151
UniProtQ99J99|THTM_MOUSE 3-mercaptopyruvate sulfurtransferase (Gene Name=Mpst)

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