MolNFT v1 · #30735 · protein

Crystal structure of a pantothenate synthetase complexed with ATP

2A84 · Pantoate--beta-alanine ligase: “Crystal structure of a pantothenate synthetase complexed with ATP”. X-ray diffraction, 2 ligands (ATP, MG), 1 pocket (best druggability 0.78). MolNFT v1 #30735 on GenesisL1: 3D structure, binding…

PDB: 2A84
Type: protein
Length: 277 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pantoate--beta-alanine ligase
EC: 6.3.2.1
UniProt: P0A5R0
Ligands: ATP, MG
Pockets: 1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pantoate--beta-alanine ligase (EC 6.3.2.1)	protein	277	40% helix, 22% strand	P0A5R0

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
GOL · Glycerol · additive · 3 copies · 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	554	0.78	0.84	52	MG, ATP, GOL

Compared structures

2A84 · Crystal structure of A Pantothenate synthetase complexed with ATP · 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 P0A5R0
Elsewhere: RCSB PDB 2A84 · PDBe 2A84 · UniProt P0A5R0

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