MolNFT v1 · #60353 · protein

Crystal structure of the cytochrome P450-cam active site mutant THR252ALA

3CP4: “Crystal structure of the cytochrome P450-cam active site mutant THR252ALA”. X-ray diffraction, 2 ligands (HEM, ADM), 3 pockets (best druggability 0.86). MolNFT v1 #60353 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3CP4
Type: protein
Length: 405 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450-cam
EC: 1.14.15.1
UniProt: P00183
Ligands: HEM, ADM
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450-cam (EC 1.14.15.1)	protein	405	50% helix, 11% strand	P00183

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
ADM · Adamantane · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	433	0.86	0.93	53	HEM, ADM
2	82	0.43	0.80	15	empty
3	53	0.31	0.76	16	empty

Compared structures

3CP4 · Crystal structure of the cytochrome P450-cam active site mutant THR252ALA · 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P00183
Elsewhere: RCSB PDB 3CP4 · PDBe 3CP4 · UniProt P00183

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