MolNFT v1 · #90636 · protein

Crystal structure of the xpla heme domain in complex with imidazole and peg

4EP6 · Cytochrome P450-like protein xpla: “Crystal structure of the xpla heme domain in complex with imidazole and peg”. X-ray diffraction, 1 ligand (HEM), 2 pockets (best druggability 0.86). MolNFT v1 #90636 on GenesisL1: 3D structure…

PDB: 4EP6
Type: protein
Length: 392 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450-like protein xpla
EC: 1.-.-.-
UniProt: Q8GPH7
Ligands: HEM
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450-like protein xpla (EC 1.-.-.-)	protein	392	55% helix, 10% strand	Q8GPH7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
IMD · Imidazole · additive · chains A
1PE · Pentaethylene glycol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	987	0.86	0.87	92	HEM, IMD, 1PE
2	236	0.53	0.76	24	empty

Compared structures

4EP6 · Crystal structure of the XplA heme domain in complex with imidazole and PEG · 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 4EP6 · PDBe 4EP6 · UniProt Q8GPH7

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