Structure of PDB 4v4d Chain S Binding Site BS01

Receptor Information
>4v4d Chain S (length=875) Species: 35816 (Pelobacter acidigallici) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGEVVRLTNSSTGGPVFVYVKDGKIIRMTPMDFDDAVDAPSWKIEARGKT
FTPPRKTSIAPYTAGFKSMIYSDLRIPYPMKRKSFDPNGERNPQLRGAGL
SKQDPWSDYERISWDEATDIVVAEINRIKHAYGPSAILSTPSSHHMWGNV
GYRHSTYFRFMNMMGFTYADHNPDSWEGWHWGGMHMWGFSWRLGNPEQYD
LLEDGLKHAEMIVFWSSDPETNSGIYAGFESNIRRQWLKDLGVDFVFIDP
HMNHTARLVADKWFSPKIGTDHALSFAIAYTWLKEDSYDKEYVAANAHGF
EEWADYVLGKTDGTPKTCEWAEEESGVPACEIRALARQWAKKNTYLAAGG
LGGWGGACRASHGIEWARGMIALATMQGMGKPGSNMWSTTQGVPLDYEFY
FPGYAEGGISGDCENSAAGFKFAWRMFDGKTTFPSPSNLNTSAGQHIPRL
KIPECIMGGKFQWSGKGFAGGDISHQLHQYEYPAPGYSKIKMFWKYGGPH
LGTMTATNRYAKMYTHDSLEFVVSQSIWFEGEVPFADIILPACTNFERWD
ISEFANCSGYIPDNYQLCNHRVISLQAKCIEPVGESMSDYEIYRLFAKKL
NIEEMFSEGKDELAWCEQYFNATDMPKYMTWDEFFKKGYFVVPDNPNRKK
TVALRWFAEGREKDTPDWGPRLNNQVCRKGLQTTTGKVEFIATSLKNFEE
QGYIDEHRPSMHTYVPAWESQKHSPLAVKYPLGMLSPHPRFSMHTMGDGK
NSYMNYIKDHRVEVDGYKYWIMRVNSIDAEARGIKNGDLIRAYNDRGSVI
LAAQVTECLQPGTVHSYESCAVYDPLGTAGKSADRGGCINILTPDRYISK
YACGMANNTALVEIEKWDGDKYEIY
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 chain4v4d Chain S Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4v4d Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W339 A340 K342 Q377
Binding residue
(residue number reindexed from 1)		W339 A340 K342 Q377
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y62 S142 H144 D174 W176 E177 D396 Y404
Catalytic site (residue number reindexed from 1) Y62 S142 H144 D174 W176 E177 D396 Y404
Enzyme Commision number 1.97.1.2: pyrogallol hydroxytransferase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0018706 pyrogallol hydroxytransferase activity
GO:0030151 molybdenum ion binding
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
Biological Process
GO:0009061 anaerobic respiration
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4v4d, PDBe:4v4d, PDBj:4v4d
PDBsum4v4d
PubMed15284442
UniProtP80563|PGTL_PELAC Pyrogallol hydroxytransferase large subunit (Gene Name=athL)

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