MolNFT v1 · #179674 · protein

The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4

7KCS · Cytochrome P450: “The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4”. X-ray diffraction, 3 ligands (HEM, MW7, CL), 2 pockets (best druggability 0.85). MolNFT v1 #179674 on GenesisL1: 3D structure, binding sites and…

PDB: 7KCS
Type: protein
Length: 393 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
EC: 1.-.-.-
UniProt: Q2IU02
Ligands: HEM, MW7, CL
Pockets: 2 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 (EC 1.-.-.-)	protein	393	49% helix, 13% strand	Q2IU02

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
MW7 · 4-ethenylbenzoic acid · ligand · chains A
CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	342	0.85	0.95	45	HEM, MW7
2	125	0.42	0.76	22	empty

Compared structures

7KCS · The crystal structure of 4-vinylbenzoate-bound wild-type CYP199A4 · 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 Q2IU02
Elsewhere: RCSB PDB 7KCS · PDBe 7KCS · UniProt Q2IU02

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