Structure of PDB 4v4e Chain I Binding Site BS04

Receptor Information
>4v4e Chain I (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 IDBTT
InChIInChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H
InChIKeyUYQMSQMCIYSXOW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(c(cc(c1O)O)O)O
CACTVS 3.341Oc1cc(O)c(O)cc1O
ACDLabs 10.04Oc1c(O)cc(O)c(O)c1
FormulaC6 H6 O4
NameBENZENE-1,2,4,5-TETROL
ChEMBL
DrugBank
ZINCZINC000001727808
PDB chain4v4e Chain I Residue 905 [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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PDB4v4e Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S143 H144 D174 S175 W176 Y404 C557 Y560
Binding residue
(residue number reindexed from 1)		S143 H144 D174 S175 W176 Y404 C557 Y560
Annotation score2
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:4v4e, PDBe:4v4e, PDBj:4v4e
PDBsum4v4e
PubMed15284442
UniProtP80563|PGTL_PELAC Pyrogallol hydroxytransferase large subunit (Gene Name=athL)

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