MolNFT v1 · #156866 · protein

Crystal structure of ketosynthase twelve from bacillaene polyketide synthase in bacillus amyloliquefaciens

6MHL · Hybrid NRPS/PKS: “Crystal structure of ketosynthase twelve from bacillaene polyketide synthase in bacillus amyloliquefaciens”. X-ray diffraction, 13 pockets (best druggability 0.81). MolNFT v1 #156866 on GenesisL1: 3D structure…

PDB: 6MHL
Type: protein
Length: 1,122 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hybrid NRPS/PKS
UniProt: Q1RS70
Pockets: 13 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hybrid NRPS/PKS	protein	561	35% helix, 21% strand	Q1RS70
B	Hybrid NRPS/PKS	protein	561	36% helix, 21% strand	Q1RS70

Pockets

13 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	156	0.81	0.97	39	empty
2	791	0.80	0.83	78	empty
3	766	0.79	0.83	81	empty
4	730	0.73	0.79	69	empty
5	607	0.72	0.79	51	empty

Interfaces

1 interface between chains.

A–B · 2531 Å² buried · 28 hydrogen bonds · protein-protein

Compared structures

6MHL · Crystal structure of ketosynthase twelve from bacillaene polyketide synthase in Bacillus… · 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 Q1RS70
Elsewhere: RCSB PDB 6MHL · PDBe 6MHL · UniProt Q1RS70

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