MolNFT v1 · #182694 · protein

Crystal structure of 4-(1H-1,2,4-triazol-1-YL)BENZOIC acid-bound CYP199A4

7N14 · Cytochrome P450: “Crystal structure of 4-(1H-1,2,4-triazol-1-YL)BENZOIC acid-bound CYP199A4”. X-ray diffraction, 3 ligands (ZRS, HEM, CL), 2 pockets (best druggability 0.86). MolNFT v1 #182694 on GenesisL1: 3D structure, binding…

PDB: 7N14
Type: protein
Length: 393 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
EC: 1.14.-.-
UniProt: Q2IU02
Ligands: ZRS, HEM, CL
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 (EC 1.14.-.-)	protein	393	50% helix, 13% strand	Q2IU02

Ligands and binding sites

ZRS · 4-(1H-1,2,4-triazol-1-yl)benzoic acid · ligand · chains A
HEM · Protoporphyrin IX containing Fe · 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	406	0.86	0.94	53	ZRS, HEM
2	143	0.43	0.75	24	empty

Compared structures

7N14 · Crystal structure of 4-(1H-1,2,4-triazol-1-yl)benzoic acid-bound 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 7N14 · PDBe 7N14 · UniProt Q2IU02

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