MolNFT v1 · #121347 · protein

Crystal structure of the dehydratase domain of mlnb from bacillus amyloliquefaciens

5HST · Polyketide synthase type I: “Crystal structure of the dehydratase domain of mlnb from bacillus amyloliquefaciens”. X-ray diffraction, 6 pockets (best druggability 0.80). MolNFT v1 #121347 on GenesisL1: 3D structure, binding sites…

PDB: 5HST
Type: protein
Length: 535 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polyketide synthase type I
UniProt: Q1RS66
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polyketide synthase type I	protein	270	19% helix, 43% strand	Q1RS66
B	Polyketide synthase type I	protein	265	19% helix, 43% strand	Q1RS66

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1030	0.80	0.81	80	empty
2	94	0.63	0.89	27	empty
3	106	0.59	0.86	32	empty
4	195	0.56	0.79	25	empty
5	207	0.55	0.78	25	empty

Interfaces

1 interface between chains.

A–B · 837 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

5HST · Crystal structure of the dehydratase domain of MlnB from Bacillus amyloliquefaciens · 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 Q1RS66
Elsewhere: RCSB PDB 5HST · PDBe 5HST · UniProt Q1RS66

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