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The structure of the complex of cytochrome P450CAM and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy

Analyse The structure of the complex of cytochrome P450CAM and its electron donor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2M56
Type
protein
Length
510 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Camphor 5-monooxygenase; Putidaredoxin
EC
1.14.15.1
UniProt
P00183, P00259
Ligands
HEM, CAM, FES
Pockets
4 · best druggability 0.86

Structure

solution nmr · 2 distinct chains · 44% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACamphor 5-monooxygenase (EC 1.14.15.1)protein40450% helix, 10% strandP00183
BPutidaredoxinprotein10619% helix, 22% strandP00259

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • CAM · Camphor · ligand · chains A
  • FES · Fe2/s2 (inorganic) cluster · ligand · chains B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14640.860.9348HEM, CAM
24330.580.7549empty
3990.420.7822empty
4540.310.7716empty

Interfaces

1 interface between chains.

  • A–B · 552 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 2M56 · The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00183 · AlphaFold monomer V2.0 prediction for camphor 5-monooxygenase (P00183) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P00259 · AlphaFold monomer V2.0 prediction for putidaredoxin (P00259) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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