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MolNFT v1 · #14853 · protein

Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane

1MMO · Methane monooxygenase hydrolase (beta chain): “Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane”. X-ray diffraction, 1 ligand (FE), 20 pockets (best druggability 0.80).…

PDB
1MMO
Type
protein
Length
2,116 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methane monooxygenase hydrolase (beta chain); Methane monooxygenase hydrolase (alpha…
EC
1.14.13.25
UniProt
P18798, P22869, P11987
Ligands
FE
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, CMethane monooxygenase hydrolase (beta chain) (EC 1.14.13.25)protein38465% helix, 1% strandP18798
D, EMethane monooxygenase hydrolase (alpha chain) (EC 1.14.13.25)protein51263% helix, 4% strandP22869
G, HMethane monooxygenase hydrolase (gamma chain) (EC 1.14.13.25)protein16265% helix, 2% strandP11987

Ligands and binding sites

  • FE · Fe (III) ion · metal · 4 copies · chains D, E
  • ACY · Acetic acid · additive · 2 copies · chains D, E

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
11090.800.9933empty
21500.790.9629empty
38560.760.8092empty
4670.760.9920empty
5770.750.9823empty

Interfaces

10 interfaces between chains.

  • B–D · 5340 Ų buried · 84 hydrogen bonds · protein-protein
  • C–E · 5278 Ų buried · 80 hydrogen bonds · protein-protein
  • D–G · 2165 Ų buried · 38 hydrogen bonds · protein-protein
  • E–H · 2123 Ų buried · 36 hydrogen bonds · protein-protein
  • B–C · 1845 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 1MMO · Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological… · the same entry in another collection · chain H against H, TM-score 1.00
  • P18798 · AlphaFold monomer V2.0 prediction for methane monooxygenase component a beta chain… · a predicted model of the same protein · chain B against A, TM-score 1.00
  • P11987 · AlphaFold monomer V2.0 prediction for methane monooxygenase component a gamma chain… · a predicted model of the same protein · chain G against A, TM-score 1.00
  • P22869 · AlphaFold monomer V2.0 prediction for methane monooxygenase component a alpha chain… · a predicted model of the same protein · chain D against A, TM-score 1.00

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