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Crystal structure of methylosinus trichosporium OB3B soluble methane monooxygenase hydroxylase and regulatory component complex

Analyse Crystal structure of methylosinus trichosporium OB3B soluble methane… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VK5
Type
protein
Length
2,419 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methane monooxygenase component a alpha chain; Methane monooxygenase; Methane…
UniProt
A0A2D2D5X0, A0A2D2D5X7, A0A2D2D0T0, A0A2D2D0T8
Ligands
BEZ, FE, CL
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 5 distinct chains · 58% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EMethane monooxygenase component a alpha chainprotein51561% helix, 4% strandA0A2D2D5X0
B, FMethane monooxygenaseprotein39266% helix, 1% strandA0A2D2D5X7
C, GMethane monooxygenaseprotein16863% helix, 4% strandA0A2D2D0T0
DMethane monooxygenase regulatory protein Bprotein13239% helix, 29% strandA0A2D2D0T8
HMethane monooxygenase regulatory protein Bprotein13737% helix, 28% strandA0A2D2D0T8

Ligands and binding sites

  • BEZ · Benzoic acid · ligand · 2 copies · chains A, E
  • FE · Fe (III) ion · metal · 4 copies · chains A, E
  • CL · Chloride ion · ion · chains E
  • EDO · 1,2-ethanediol · additive · 30 copies · chains A, D, C, B, H, E, F, G

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19890.870.8897EDO
21550.830.9834EDO
31530.810.9732empty
41000.780.9823empty
5990.780.9823empty

Interfaces

18 interfaces between chains.

  • A–B · 5377 Ų buried · 91 hydrogen bonds · protein-protein
  • E–F · 5367 Ų buried · 87 hydrogen bonds · protein-protein
  • E–H · 2708 Ų buried · 40 hydrogen bonds · protein-protein
  • A–D · 2707 Ų buried · 42 hydrogen bonds · protein-protein
  • E–G · 2213 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 6VK5 · Crystal Structure of Methylosinus trichosporium OB3b Soluble Methane Monooxygenase… · the same entry in another collection · chain A against A, TM-score 1.00

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