MolNFT v1 · #66591 · protein

Crystal structure of alanine racemase from oenococcus oeni

3HUR: “Crystal structure of alanine racemase from oenococcus oeni”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.73). MolNFT v1 #66591 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HUR
Type: protein
Length: 384 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alanine racemase
EC: 5.1.1.1
UniProt: Q04DI1
Ligands: SO4
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alanine racemase (EC 5.1.1.1)	protein	384	28% helix, 27% strand	Q04DI1

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	630	0.73	0.80	57	SO4
2	61	0.56	0.89	17	empty

Compared structures

3HUR · Crystal structure of alanine racemase from Oenococcus oeni · 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 Q04DI1
Elsewhere: RCSB PDB 3HUR · PDBe 3HUR · UniProt Q04DI1

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