MolNFT v1 · #138868 · protein

Alkylquinolone synthase from evodia rutaecarpa

5WX4: “Alkylquinolone synthase from evodia rutaecarpa”. X-ray diffraction, 9 pockets (best druggability 0.75). MolNFT v1 #138868 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5WX4
Type: protein
Length: 1,174 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alkylquinolone synthase
Pockets: 9 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alkylquinolone synthase	protein	392	43% helix, 23% strand	—
B, C	Alkylquinolone synthase	protein	391	43% helix, 24% strand	—

Pockets

9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	254	0.75	0.88	39	empty
2	262	0.74	0.87	51	empty
3	286	0.74	0.86	45	empty
4	69	0.73	0.97	28	empty
5	50	0.69	0.98	16	empty

Interfaces

2 interfaces between chains.

B–C · 3109 Å² buried · 45 hydrogen bonds · protein-protein
A–B · 123 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5WX4 · Alkylquinolone synthase 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 5WX4 · PDBe 5WX4

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