Structure of PDB 8sqw Chain K Binding Site BS02

Receptor Information
>8sqw Chain K (length=236) Species: 243233 (Methylococcus capsulatus str. Bath) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLDKKWLTFALAIYTVFYLWVRWYEGVYGWSAGLDSFAPEFETYWMNFLY
TEIVLEIVTASILWGYLWKTRDRNLAALTPREELRRNFTHLVWLVAYAWA
IYWGASYFTEQDGTWHQTIVRDTDFTPSHIIEFYLSYPIYIITGFAAFIY
AKTRLPFFAKGISLPYLVLVVGPFMILPNVGLNEWGHTFWFMEELFVAPL
HYGFVIFGWLALAVMGTLTQTFYSFAQGGLGQSLCE
Ligand information
Ligand IDHXG
InChIInChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m1/s1
InChIKeyDVZARZBAWHITHR-GOSISDBHSA-O
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC
CACTVS 3.385CCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
OpenEye OEToolkits 1.9.2CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
OpenEye OEToolkits 1.9.2CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
CACTVS 3.385CCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
FormulaC20 H41 N O8 P
Name1,2-dihexanoyl-sn-glycero-3-phosphocholine;
(4R,7R)-7-(hexanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide
ChEMBL
DrugBank
ZINCZINC000013543441
PDB chain8sqw Chain K Residue 304 [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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PDB8sqw Product analogue binding identifies the copper active site of particulate methane monooyxgenase
Resolution2.16 Å
Binding residue
(original residue number in PDB)		W234 F235 M236 E237 P243 Y246
Binding residue
(residue number reindexed from 1)		W190 F191 M192 E193 P199 Y202
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.25: methane monooxygenase (soluble).
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0015049 methane monooxygenase [NAD(P)H] activity
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8sqw, PDBe:8sqw, PDBj:8sqw
PDBsum8sqw
PubMed38187819
UniProtQ603F1

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