Structure of PDB 4z3w Chain D Binding Site BS02

Receptor Information
>4z3w Chain D (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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4z3w Chain D Residue 706 [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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PDB4z3w Structural basis of enzymatic benzene ring reduction.
Resolution2.208 Å
Binding residue
(original residue number in PDB)		M94 S183
Binding residue
(residue number reindexed from 1)		M94 S183
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:4z3w, PDBe:4z3w, PDBj:4z3w
PDBsum4z3w
PubMed26120796
UniProtQ39TV8

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