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Complex structure of methane monooxygenase hydroxylase and regulatory subunit DBL2

Analyse Complex structure of methane monooxygenase hydroxylase and regulatory subunit… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7S6Q
Type
protein
Length
2,410 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methane monooxygenase component a alpha chain; Methane monooxygenase beta chain; Methane…
EC
1.-.-.-
UniProt
A0A2D2D5X0, A0A2D2D5X7, A0A2D2D0T0, A0A2D2D0T8
Ligands
BEZ, FE
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 chain (EC 1.-.-.-)protein51561% helix, 5% strandA0A2D2D5X0
B, FMethane monooxygenase beta chainprotein39266% helix, 1% strandA0A2D2D5X7
C, GMethane monooxygenase gamma chainprotein16863% helix, 4% strandA0A2D2D0T0
DMethane monooxygenase regulatory protein Bprotein13038% helix, 29% strandA0A2D2D0T8
HMethane monooxygenase regulatory protein Bprotein13040% helix, 29% strandA0A2D2D0T8

Ligands and binding sites

  • BEZ · Benzoic acid · ligand · 2 copies · chains A, E
  • FE · Fe (III) ion · metal · 4 copies · chains A, E
  • EDO · 1,2-ethanediol · additive · 28 copies · chains A, D, B, H, F, C, E, 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, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18200.870.8983EDO
21470.820.9833EDO
31400.810.9835empty
4980.780.9923empty
5920.780.9926empty

Interfaces

18 interfaces between chains.

  • E–F · 5371 Ų buried · 90 hydrogen bonds · protein-protein
  • A–B · 5340 Ų buried · 99 hydrogen bonds · protein-protein
  • A–D · 2708 Ų buried · 40 hydrogen bonds · protein-protein
  • E–H · 2646 Ų buried · 39 hydrogen bonds · protein-protein
  • E–G · 2237 Ų buried · 35 hydrogen bonds · protein-protein

Compared structures

  • 7S6Q · Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL2 · the same entry in another collection · chain A against A, TM-score 1.00

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