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Crystal structure of putative mandelate racemase from bordetella bronchiseptica RB50

Analyse Crystal structure of putative mandelate racemase from bordetella bronchiseptica… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3H12
Type: protein
Length: 784 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mandelate racemase
UniProt: Q7WEE8
Ligands: NA
Pockets: 8 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mandelate racemase	protein	392	41% helix, 19% strand	Q7WEE8

Ligands and binding sites

NA · Sodium ion · metal · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	92	0.77	0.98	27	empty
2	100	0.76	0.97	26	empty
3	185	0.55	0.80	36	empty
4	186	0.54	0.79	33	empty
5	81	0.49	0.83	23	empty

Interfaces

1 interface between chains.

A–B · 2109 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

3H12 · Crystal structure of putative mandelate racemase from Bordetella Bronchiseptica RB50 · 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 Q7WEE8
Elsewhere: RCSB PDB 3H12 · PDBe 3H12 · UniProt Q7WEE8

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