MolNFT v1 · #15010 · protein

Mandelate racemase mutant D270N co-crystallized with (S)-atrolactate

1MRA: “Mandelate racemase mutant D270N co-crystallized with (S)-atrolactate”. X-ray diffraction, 2 ligands (APG, MG), 2 pockets (best druggability 0.57). MolNFT v1 #15010 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1MRA
Type: protein
Length: 357 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mandelate racemase
EC: 5.1.2.2
UniProt: P11444
Ligands: APG, MG
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mandelate racemase (EC 5.1.2.2)	protein	357	41% helix, 20% strand	P11444

Ligands and binding sites

APG · Atrolactic acid (2-phenyl-lactic acid) · ligand · chains A
MG · Magnesium ion · metal · 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	179	0.57	0.81	25	APG
2	139	0.52	0.80	17	empty

Compared structures

1MRA · Mandelate racemase mutant D270N co-crystallized with (S)-atrolactate · the same entry in another collection · chain A against A, TM-score 1.00
P11444 · AlphaFold monomer V2.0 prediction for mandelate racemase (P11444) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P11444
Elsewhere: RCSB PDB 1MRA · PDBe 1MRA · UniProt P11444

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