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BioLiP

Structure of PDB 6zlf Chain I Binding Site BS01

Receptor Information
>6zlf Chain I (length=408) Species: 2186 (Methanothermococcus thermolithotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKADAVKIADGVYWVGVLDWDIRMYHGYTLNGTTYNAYLVFGDDKVALID
NTYPGTSAQMWGRIKDACEKEGREFKIDVIVQNHVEKDHSGALPEIHKKF
PEAPIYCTEVAVEGLVKHFPSLKGAPFKVVKSLESIDLGGKTLTFLEAPL
LHWPDSMFTLYAEEGILFSNDAFGQHLCFTQRFDHEIPENILMDANQKFY
ANLITPLSKLVLKKFKEVIELGLLEKIKMIAPSHGQIWTDPMKVIGAYQD
FATGKCKDKVTIVYDTMHGSTQKMAHAFAEGIMSEGVDVKMYFLHNDERS
EIVKDILDSKAFLLGAPTIYDEPFPSVGDLIYYLKGLKFNRTGLKRLALA
FGSMGGNGGGTKVLAEKLKECGFEVLDEYELYYVPTEDELEKCYNMGKRL
AVKVKEMK
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain6zlf Chain I Residue 503 [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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PDB6zlf Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H84 E86 D88 H89 H152 D171 H234
Binding residue
(residue number reindexed from 1)		H84 E86 D88 H89 H152 D171 H234
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links

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