Structure of PDB 1w6s Chain A Binding Site BS02

Receptor Information
>1w6s Chain A (length=595) Species: 408 (Methylorubrum extorquens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDKLVELSKSDDNWVMPGKNYDSNNFSDLKQINKGNVKQLRPAWTFSTGL
LNGHEGAPLVVDGKMYIHTSFPNNTFALGLDDPGTILWQDKPKQNPAARA
VACCDLVNRGLAYWPGDGKTPALILKTQLDGNVAALNAETGETVWKVENS
DIKVGSTLTIAPYVVKDKVIIGSSGAELGVRGYLTAYDVKTGEQVWRAYA
TGPDKDLLLASDFNIKNPHYGQKGLGTGTWEGDAWKIGGGTNWGWYAYDP
GTNLIYFGTGNPAPWNETMRPGDNKWTMTIFGRDADTGEAKFGYQKTPHD
EWDYAGVNVMMLSEQKDKDGKARKLLTHPDRNGIVYTLDRTDGALVSANK
LDDTVNVFKSVDLKTGQPVRDPEYGTRMDHLAKDICPSAMGYHNQGHDSY
DPKRELFFMGINHICMDWEPFMLPYKAGQFFVGATLNMYPGPKGDRQNYE
GLGQIKAYNAITGDYKWEKMERFAVWGGTMATAGDLVFYGTLDGYLKARD
SDTGDLLWKFKIPSGAIGYPMTYTHKGTQYVAIYYGVGGWPGVGLVFDLA
DPTAGLGAVGAFKKLANYTQMGGGVVVFSLDGKGPYDDPNVGEWK
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 chain1w6s Chain A Residue 1599 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w6s The Atomic Resolution Structure of Methanol Dehydrogenase from Methylobacterium Extorquens
Resolution1.2 Å
Binding residue
(original residue number in PDB)		E177 N261
Binding residue
(residue number reindexed from 1)		E177 N261
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.2.7: methanol dehydrogenase (cytochrome c).
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
GO:0052933 alcohol dehydrogenase (cytochrome c(L)) activity
Biological Process
GO:0015945 methanol metabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
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:1w6s, PDBe:1w6s, PDBj:1w6s
PDBsum1w6s
PubMed15608378
UniProtP16027|DHM1_METEA Methanol dehydrogenase [cytochrome c] subunit 1 (Gene Name=moxF)

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