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Structure of pseudomonas aeruginosa CoA-bound odaa

Analyse Structure of pseudomonas aeruginosa CoA-bound odaa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7BOR
Type: protein
Length: 494 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable enoyl-CoA HYDRATASE/ISOMERASE
UniProt: Q9HW71
Ligands: COA
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Probable enoyl-CoA HYDRATASE/ISOMERASE	protein	247	53% helix, 16% strand	Q9HW71

Ligands and binding sites

COA · Coenzyme A · ligand · 2 copies · chains A, C

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	946	0.74	0.77	76	COA
2	197	0.58	0.80	35	COA
3	230	0.55	0.77	26	empty
4	189	0.52	0.78	20	empty
5	71	0.39	0.78	13	empty

Interfaces

1 interface between chains.

A–C · 118 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

7BOR · Structure of Pseudomonas aeruginosa CoA-bound OdaA · 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 Q9HW71
Elsewhere: RCSB PDB 7BOR · PDBe 7BOR · UniProt Q9HW71

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