MolNFT v1 · #167903 · protein

Crystal structure of cytochrome P450 NASF5053 S284A-V288A mutant variant from streptomyces sp. nrrl F-5053 in the cyclo-L-TRP-L-pro- bound state

6VZB: “Crystal structure of cytochrome P450 NASF5053 S284A-V288A mutant variant from streptomyces sp. nrrl F-5053 in…”. X-ray diffraction, 3 ligands (QRP, HEM, NA), 4 pockets (best druggability 0.86). MolNFT v1 #167903 on GenesisL1: 3D…

PDB: 6VZB
Type: protein
Length: 393 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 NASF5053
Ligands: QRP, HEM, NA
Pockets: 4 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 NASF5053	protein	393	51% helix, 11% strand	—

Ligands and binding sites

QRP · (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione · ligand · 2 copies · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A
NA · Sodium ion · metal · chains A

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

Pockets

4 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	905	0.86	0.88	78	QRP, HEM
2	94	0.52	0.83	20	empty
3	84	0.40	0.78	19	empty
4	64	0.33	0.76	14	empty

Compared structures

6VZB · Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from… · 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
Elsewhere: RCSB PDB 6VZB · PDBe 6VZB

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