MolNFT v1 · #92326 · protein

Structure of cytochrome CYP121 in complex with 2-methylquinolin-6- amine

4G45 · Cytochrome P450 121: “Structure of cytochrome CYP121 in complex with 2-methylquinolin-6- amine”. X-ray diffraction, 3 ligands (MQN, HEM, SO4), 3 pockets (best druggability 0.87). MolNFT v1 #92326 on GenesisL1: 3D structure, binding…

PDB: 4G45
Type: protein
Length: 394 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 121
EC: 1.14.-.-
UniProt: P0A514
Ligands: MQN, HEM, SO4
Pockets: 3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 121 (EC 1.14.-.-)	protein	394	51% helix, 10% strand	P0A514

Ligands and binding sites

MQN · 2-methylquinolin-6-amine · ligand · 2 copies · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A
SO4 · Sulfate ion · ion · 5 copies · chains A

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

Pockets

3 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	840	0.87	0.89	74	HEM, MQN
2	63	0.41	0.81	16	empty
3	62	0.29	0.74	16	empty

Compared structures

4G45 · Structure of cytochrome CYP121 in complex with 2-methylquinolin-6-amine · 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 P0A514
Elsewhere: RCSB PDB 4G45 · PDBe 4G45 · UniProt P0A514

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