Research workbench

Crystal structure of cahj in complex with benzoyl adenylate

Analyse Crystal structure of cahj in complex with benzoyl adenylate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5WM6
Type: protein
Length: 535 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Salicylate-AMP ligase
UniProt: A0A140DJY3
Ligands: OOB, MG
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Salicylate-AMP ligase	protein	535	33% helix, 26% strand	A0A140DJY3

Ligands and binding sites

OOB · 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine · ligand · chains A
MG · Magnesium ion · metal · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.79	0.81	105	OOB
2	55	0.47	0.85	18	empty
3	78	0.30	0.73	15	empty

Compared structures

5WM6 · Crystal Structure of CahJ in Complex with Benzoyl Adenylate · 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 A0A140DJY3
Elsewhere: RCSB PDB 5WM6 · PDBe 5WM6 · UniProt A0A140DJY3

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.