MolNFT v1 · #91209 · protein

Crystal structure of aureusimine biosynthetic cluster reductase domain

4F6C · Ausa reductase domain protein: “Crystal structure of aureusimine biosynthetic cluster reductase domain”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #91209 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4F6C
Type: protein
Length: 736 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ausa reductase domain protein
UniProt: Q99X42
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ausa reductase domain protein	protein	368	46% helix, 17% strand	Q99X42
B	Ausa reductase domain protein	protein	368	46% helix, 17% strand	Q99X42

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1019	0.76	0.78	87	empty
2	1016	0.74	0.77	88	empty
3	92	0.53	0.84	20	empty
4	70	0.31	0.74	16	empty
5	52	0.25	0.72	15	empty

Interfaces

1 interface between chains.

A–B · 652 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 29 modified (engineered).

Compared structures

4F6C · Crystal structure of Aureusimine biosynthetic cluster reductase domain · 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 Q99X42
Elsewhere: RCSB PDB 4F6C · PDBe 4F6C · UniProt Q99X42

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