MolNFT v1 · #155428 · protein

Quinolone synthase (qns) from aegle marmelos

6L78 · Type III polyketide synthase: “Quinolone synthase (qns) from aegle marmelos”. X-ray diffraction, 13 pockets (best druggability 0.79). MolNFT v1 #155428 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6L78
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: 13 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Type III polyketide synthase	protein	375	43% helix, 23% strand	M1HE54

Pockets

13 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	405	0.79	0.88	47	empty
2	403	0.78	0.87	49	empty
3	382	0.78	0.87	49	empty
4	378	0.78	0.87	46	empty
5	949	0.77	0.80	86	empty

Interfaces

5 interfaces between chains.

A–B · 2611 Å² buried · 54 hydrogen bonds · protein-protein
C–D · 2598 Å² buried · 56 hydrogen bonds · protein-protein
B–D · 410 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 68 Å² buried · 1 hydrogen bond · protein-protein
A–C · 19 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6L78 · Quinolone synthase (QNS) from Aegle marmelos · 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 6L78 · PDBe 6L78 · UniProt M1HE54

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