Structure of PDB 7ce9 Chain C Binding Site BS01

Receptor Information
>7ce9 Chain C (length=573) Species: 243233 (Methylococcus capsulatus str. Bath) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSELDRLSKDDRNWVMQTKDYSATHFSRLTEINSHNVKNLKVAWTLSTGT
LHGHEGAPLVVDGIMYIHTPFPNNVYAVDLNDTRKMLWQYKPKQNPAARA
VACCDVVNRGLAYVPAGEHGPAKIFLNQLDGHIVALNAKTGEEIWKMENS
DIAMGSTLTGAPFVVKDKVLVGSAGAELGVRGYVTAYNIKDGKQEWRAYA
TGPDEDLLLDKDFNKDNPHYGQFGLGLSTWEGDAWKIGGGTNWGWYAYDP
KLDMIYYGSGNPAPWNETMRPGDNKWTMTIWGRDADTGRAKFGYQKTPHD
EWDYAGVNYMGLSEQEVDGKLTPLLTHPDRNGLVYTLNRETGALVNAFKI
DDTVNWVKKVDLKTGLPIRDPEYSTRMDHNAKGICPSAMGYHNQGIESYD
PDKKLFFMGVNHICMDWEPFMLPYRAGQFFVGATLNMYPGPKGMLGQVKA
MNAVTGKMEWEVPEKFAVWGGTLATAGDLVFYGTLDGFIKARDTRTGELK
WQFQLPSGVIGHPITYQHNGKQYIAIYSGVGGWPGVGLVFDLKDPTAGLG
AVGAFRELAHYTQMGGSVFVFSL
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 chain7ce9 Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ce9 Mechanism of Pyrroloquinoline Quinone-Dependent Hydride Transfer Chemistry from Spectroscopic and High-Resolution X-ray Structural Studies of the Methanol Dehydrogenase from Methylococcus capsulatus (Bath).
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E205 N289 D331
Binding residue
(residue number reindexed from 1)		E177 N261 D303
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E205 N289 D331
Catalytic site (residue number reindexed from 1) E177 N261 D303
Enzyme Commision number ?
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
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:7ce9, PDBe:7ce9, PDBj:7ce9
PDBsum7ce9
PubMed33629832
UniProtQ60AR6

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