Structure of PDB 1h4i Chain A Binding Site BS02

Receptor Information
>1h4i 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
DPKRELFFMGINHICMDWEPFMLPYRAGQFFVGATLNMYPGPKGDRQNYE
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 chain1h4i Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h4i The Refined Structure of the Quinoprotein Methanol Dehydrogenase from Methylobacterium Extorquens at 1.94 A.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		E177 N261
Binding residue
(residue number reindexed from 1)		E177 N261
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E177 N261 D303
Catalytic site (residue number reindexed from 1) E177 N261 D303
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:1h4i, PDBe:1h4i, PDBj:1h4i
PDBsum1h4i
PubMed7735834
UniProtP16027|DHM1_METEA Methanol dehydrogenase [cytochrome c] subunit 1 (Gene Name=moxF)

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