Structure of PDB 4z40 Chain B Binding Site BS03

Receptor Information
>4z40 Chain B (length=652) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRYAETGYVLEVDLTKGSIERVATDPRDTELYLGGLGTNAKILWDRVPPE
VEPFSPENLLIFAAGLLCGTPATGCNRTIVSTVSPQTKLMAFSMMGGFWA
PELKYAGYDKIIFRGKSPELVYLYINNDKVEIRDASHLKGKGAIETAEII
KKELNEPRAQVAAIGKAGENRVFYASIEQGRSSASRGGIGAVMGDKGLKA
VVVRGTKDLCVAKPEEYIGLCNEVLDYIKHREENPIPDVMPILAGLGSPQ
EMKVHDEKWHTENFNWGNARTRRKDFWTDEVSHAWEKTMDKARTRLISCY
NCPMKCGATISMEGLPTYMMKCFTKLTYTMAAYSDLDFGLRIAQKATEYG
LDGFSAPQVMAFAFELLEKGILKDSDFPGLPEGNEERFFYLLDKIVNRDG
IGDILANGTYWAAQEIGNGAEDYAHNNIKKHEQLPLKLSMLNPIYYLMYC
TGEKINITQIEGQFPQAPYPKLEQREAFVEDWIQVPDEKFKKIFLEWEPR
GEKSMPNFPTVDMCCDIVDWQEMMHYIDDALGQCAGLSSFPLKPPYHIHN
YPKFIAAGAGIEMDTEKLKKAAKRYRTLVRAFNIRRGMRRVDEQPPANHW
KNRFPELEKELLDSYYKLKGWNDDGIPTKETLDDLGLGYVGDEFIKRGIL
SA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4z40 Chain B Residue 707 [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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PDB4z40 Structural basis of enzymatic benzene ring reduction.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		E251 H255 E257 H260
Binding residue
(residue number reindexed from 1)		E251 H255 E257 H260
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:4z40, PDBe:4z40, PDBj:4z40
PDBsum4z40
PubMed26120796
UniProtQ39TV8

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