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Crystal structure of the dehydratase domain from the terminal module of the rifamycin polyketide synthase

Analyse Crystal structure of the dehydratase domain from the terminal module of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4LN9
Type: protein
Length: 557 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rifamycin polyketide synthase
EC: 2.3.1.94
UniProt: O54593
Pockets: 5 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Rifamycin polyketide synthase (EC 2.3.1.94)	protein	281	19% helix, 41% strand	O54593
B	Rifamycin polyketide synthase (EC 2.3.1.94)	protein	276	21% helix, 40% strand	O54593

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	358	0.67	0.81	44	empty
2	212	0.62	0.82	41	empty
3	83	0.44	0.80	25	empty
4	51	0.30	0.76	15	empty
5	57	0.25	0.73	19	empty

Interfaces

1 interface between chains.

A–B · 1207 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

4LN9 · Crystal structure of the dehydratase domain from the terminal module of the rifamycin… · 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 O54593
Elsewhere: RCSB PDB 4LN9 · PDBe 4LN9 · UniProt O54593

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