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Structure of apo form of vibrio cholerae cqsa

Analyse Structure of apo form of vibrio cholerae cqsa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2WK7
Type: protein
Length: 766 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cai-1 autoinducer synthase
EC: 2.3.-.-
UniProt: Q9KM65
Ligands: SO4
Pockets: 10 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cai-1 autoinducer synthase (EC 2.3.-.-)	protein	386	43% helix, 14% strand	Q9KM65
B	Cai-1 autoinducer synthase (EC 2.3.-.-)	protein	380	44% helix, 15% strand	Q9KM65

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 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	324	0.78	0.89	58	SO4
2	313	0.78	0.89	57	SO4
3	550	0.71	0.80	69	empty
4	121	0.70	0.91	25	empty
5	133	0.69	0.90	35	empty

Interfaces

1 interface between chains.

A–B · 3898 Å² buried · 33 hydrogen bonds · protein-protein

Compared structures

2WK7 · Structure of apo form of Vibrio cholerae CqsA · the same entry in another collection · chain A against A, TM-score 1.00
Q9KM65 · AlphaFold monomer V2.0 prediction for cai-1 autoinducer synthase (Q9KM65) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9KM65
Elsewhere: RCSB PDB 2WK7 · PDBe 2WK7 · UniProt Q9KM65

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