MolNFT v1 · #138869 · protein

Alkylquinolone synthase Y215V mutant from evodia rutaecarpa

5WX5: “Alkylquinolone synthase Y215V mutant from evodia rutaecarpa”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #138869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5WX5
Type: protein
Length: 2,352 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alkylquinolone synthase
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Alkylquinolone synthase	protein	392	45% helix, 24% strand	—

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1126	0.76	0.78	94	empty
2	263	0.76	0.88	41	empty
3	261	0.75	0.88	40	empty
4	259	0.75	0.88	37	empty
5	262	0.75	0.88	39	empty

Interfaces

7 interfaces between chains.

E–F · 3087 Å² buried · 51 hydrogen bonds · protein-protein
A–B · 3085 Å² buried · 48 hydrogen bonds · protein-protein
C–D · 3075 Å² buried · 52 hydrogen bonds · protein-protein
D–E · 302 Å² buried · 4 hydrogen bonds · protein-protein
C–E · 223 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5WX5 · Alkylquinolone synthase Y215V mutant from Evodia rutaecarpa · 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 5WX5 · PDBe 5WX5

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