MolNFT v1 · #98230 · protein

Crystal structure of the cytochrome P450 enzyme txte

4L36 · Putative P450-like protein: “Crystal structure of the cytochrome P450 enzyme txte”. X-ray diffraction, 1 ligand (HEB), 7 pockets (best druggability 0.85). MolNFT v1 #98230 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4L36
Type: protein
Length: 788 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative P450-like protein
UniProt: C9ZDC6
Ligands: HEB
Pockets: 7 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative P450-like protein	protein	396	53% helix, 10% strand	C9ZDC6
B	Putative P450-like protein	protein	392	54% helix, 10% strand	C9ZDC6

Ligands and binding sites

HEB · Heme B/C · ligand · 2 copies · chains A, B
IMD · Imidazole · additive · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	772	0.85	0.88	76	HEB, IMD
2	1031	0.85	0.85	96	HEB, IMD
3	571	0.64	0.76	72	empty
4	493	0.59	0.74	44	empty
5	145	0.43	0.75	23	empty

Interfaces

1 interface between chains.

A–B · 240 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

4L36 · Crystal structure of the cytochrome P450 enzyme TxtE · the same entry in another collection · 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 C9ZDC6
Elsewhere: RCSB PDB 4L36 · PDBe 4L36 · UniProt C9ZDC6

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