MolNFT v1 · #155423 · protein

Quinolone synthase (amqns) from aegle marmelos correa

6L73 · Type III polyketide synthase: “Quinolone synthase (amqns) from aegle marmelos correa”. X-ray diffraction, 12 pockets (best druggability 0.78). MolNFT v1 #155423 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6L73
Type: protein
Length: 1,500 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Type III polyketide synthase
UniProt: M1HE54
Pockets: 12 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Type III polyketide synthase	protein	375	41% helix, 25% strand	M1HE54

Pockets

12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	361	0.78	0.88	43	empty
2	373	0.78	0.87	45	empty
3	467	0.78	0.85	54	empty
4	397	0.76	0.86	47	empty
5	68	0.73	0.98	29	empty

Interfaces

3 interfaces between chains.

A–B · 2616 Å² buried · 54 hydrogen bonds · protein-protein
C–D · 2610 Å² buried · 51 hydrogen bonds · protein-protein
A–C · 338 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6L73 · Quinolone synthase (AmQNS) from Aegle marmelos Correa · 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 M1HE54
Elsewhere: RCSB PDB 6L73 · PDBe 6L73 · UniProt M1HE54

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