MolNFT v1 · #98895 · protein

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

4LN9: “Crystal structure of the dehydratase domain from the terminal module of the rifamycin polyketide synthase”. X-ray diffraction, 5 pockets (best druggability 0.67). MolNFT v1 #98895 on GenesisL1: 3D structure, binding sites and…

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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