Structure of PDB 7s4l Chain D Binding Site BS01

Receptor Information

>7s4l Chain D (length=382) Species: 1091494 (Methylotuvimicrobium alcaliphilum 20Z)

HGEKSQAAFMRMRTIHWFDLNWSKDQVSVNETMSISGKFHVFAGWPETVD
KPEVAFLNIGIPGPVFIRAGSWIGGQLVPRSVSLELGETYEFKVLLKARR
PGDWHVHTMMNVQGGGPIIGPGKWVTITGSMGDFKNPITTLTGETIDLET
YALDGVYGWHLFWYLLGVAWMVYWCRKPVFIPRRIAVDAGKADSLITPTD
KKVGMAFAAGTLAIVAVSMGQANEKYPVTTPLQAGLMRGIKSLELPQPTV
SVKVVDASYRVPGRAMQMTLEITNNGDSAVRLAEFNTASVRFLDADVYED
DTNYPDDLLAEEGLSVSDNSPLAPGETRTVDVTASDAAWEVYRLADLIYD
PDSRFAGLLFFIDEDGNRQMTMVDAPLIPTFI

Ligand information

• Ligand ID: HXG
• InChI: InChI=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
• InChIKey: DVZARZBAWHITHR-GOSISDBHSA-O
• SMILES:
  ACDLabs 12.01: O=C(OCC(OC(=O)CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC
  CACTVS 3.385: CCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
  OpenEye OEToolkits 1.9.2: CCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
  OpenEye OEToolkits 1.9.2: CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
  CACTVS 3.385: CCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
• Formula: C20 H41 N O8 P
• Name: 1,2-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
• ZINC: ZINC000013543441
• PDB chain: 7s4l Chain F Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7s4l Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
• Resolution: 2.46 Å
• Binding residue (original residue number in PDB): M251 N255
• Binding residue (residue number reindexed from 1): M219 N223
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.13.25: methane monooxygenase (soluble).

External links

• PDB: RCSB:7s4l, PDBe:7s4l, PDBj:7s4l
• PDBsum: 7s4l
• PubMed: 35298269
• UniProt: G4SZ64