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Crystal structure of cla-producing fatty acid isomerase from P. acnes

Analyse Crystal structure of cla-producing fatty acid isomerase from P. acnes in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2BA9
Type: protein
Length: 423 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative aminooxidase
Ligands: FAD, NA
Pockets: 1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative aminooxidase	protein	423	39% helix, 21% strand	—

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · chains A
NA · Sodium ion · metal · 2 copies · chains A
12P · Dodecaethylene glycol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	844	0.82	0.84	100	NA, FAD, 12P

Compared structures

2BA9 · Crystal structure of CLA-producing fatty acid isomerase from P. acnes · 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
Elsewhere: RCSB PDB 2BA9 · PDBe 2BA9

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