Structure of PDB 5b47 Chain A Binding Site BS01

Receptor Information
>5b47 Chain A (length=627) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRIVWMIGGAQGLGVDTSANIFGNAVAKAGYYLFGNREYYSNIKGRHSYF
EVVISEKPIRSLSSYVNILASFDAETVFQHFTETKEYLIYNVEYENTTVD
LVKSMEPEMAEQVKEALSKERLGFTIKDVLEYLKRRGVKVIGFNYTELIK
KIADTFKVPMSVVERAKNMIAVGASYGLLGLKFDYLKDAISSTFKNELFI
KFNTMAAELGYNSVPNVYKLQEYKIEKQRIQVDGNTISAMGKLAGGLRFQ
SYYPITPASDESVYIEANQNLDMIVEGNELRKGGVVVVQAEDELAAINMA
VGAALTGVRSATATSGPGFSLMSEGISWAGMNEVPVVITYYMRGAPATGL
PTRSGQADLKFALNVGHGEFPRIVIASGDHVEIFWDAIWALNLAEKYQTP
VIHIIEKTLANAYSVFEEELITNRPYVIERGKIVKPTSDYFNRFEVTEDG
ISPRVFLGQASIFYTGDEHNEEGHITENSINRMKMYEKRNKKLETADKEI
PEEQRVNIVGDADIVLLTWGSPKGAILDAMEELSKDGIKTMMVQVKMFNP
YPKNLMKKILSGKSKIIAVENNYNAQGAEVLAEKTGIFATNYILKWTGRP
ITREEVIEGIKKILERDEKRVVLYGGA
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 chain5b47 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5b47 Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T257 R344 P352
Binding residue
(residue number reindexed from 1)		T256 R343 P351
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.11: 2-oxoacid oxidoreductase (ferredoxin).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016903 oxidoreductase activity, acting on the aldehyde or oxo group of donors
GO:0018491 2-oxobutyrate synthase activity
GO:0019164 pyruvate synthase activity
GO:0047553 2-oxoglutarate synthase activity
Biological Process
GO:0006086 acetyl-CoA biosynthetic process from pyruvate
GO:0006979 response to oxidative stress

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Molecular Function
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Biological Process
External links
PDB RCSB:5b47, PDBe:5b47, PDBj:5b47
PDBsum5b47
PubMed27619895
UniProtQ96XT2|OFOA2_SULTO 2-oxoacid:ferredoxin oxidoreductase 2, subunit alpha (Gene Name=ST2435)

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