Structure of PDB 4v4c Chain B Binding Site BS01

Receptor Information
>4v4c Chain B (length=274) Species: 35816 (Pelobacter acidigallici) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQYYMVIDVAKCQDCNNCFMGCMDEHELNEWPGYTASMQRGHRWMNIER
RERGTYPRNDINYRPTPCMHCENAPCVAKGNGAVYQREDGIVLIDPEKAK
GKKELLDTCPYGVMYWNEEENVAQKCTMCAHLLDDESWAPKMPRCAHNCG
SFVYEFLKTTPEAMAKKVEEEGLEVIKPELGTKPRVYYKNLYRFEKNYVT
AGILVQGDCFEGAKVVLKSGGKEVASAETNFFGEFKFDALDNGEYTVEID
ADGKSYSDTVVIDDKSVDLGFIKL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4v4c Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4v4c Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
Resolution2.35 Å
Binding residue
(original residue number in PDB)		I61 N62
Binding residue
(residue number reindexed from 1)		I61 N62
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.2: pyrogallol hydroxytransferase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0018706 pyrogallol hydroxytransferase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:4v4c, PDBe:4v4c, PDBj:4v4c
PDBsum4v4c
PubMed15284442
UniProtP80564|PGTS_PELAC Pyrogallol hydroxytransferase small subunit (Gene Name=bthL)

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