MolNFT v1 · #53043 · protein

Cytochrome-P450 xpla heme domain P21

2WIV · Cytochrome P450-like protein xpla: “Cytochrome-P450 xpla heme domain P21”. X-ray diffraction, 1 ligand (HEM), 8 pockets (best druggability 0.85). MolNFT v1 #53043 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2WIV
Type: protein
Length: 782 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450-like protein xpla
UniProt: Q8GPH7
Ligands: HEM
Pockets: 8 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cytochrome P450-like protein xpla	protein	391	56% helix, 10% strand	Q8GPH7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B

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

Pockets

8 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	936	0.85	0.86	108	HEM
2	675	0.84	0.88	79	HEM
3	263	0.54	0.76	24	empty
4	249	0.54	0.77	24	empty
5	115	0.41	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 672 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2WIV · Cytochrome-P450 XplA heme domain P21 · 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 Q8GPH7
Elsewhere: RCSB PDB 2WIV · PDBe 2WIV · UniProt Q8GPH7

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