Structure of PDB 4tqo Chain D Binding Site BS01

Receptor Information
>4tqo Chain D (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 chain4tqo Chain D Residue 701 [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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PDB4tqo Structure and Protein-Protein Interactions of Methanol Dehydrogenase from Methylococcus capsulatus (Bath).
Resolution2.57 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
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4tqo, PDBe:4tqo, PDBj:4tqo
PDBsum4tqo
PubMed25185034
UniProtQ60AR6

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