MolNFT v1 · #144454 · protein

Crystal structure of methylmalonyl-CoA epimerase from mycobacterium tuberculosis

6BU2 · Glyoxalase: “Crystal structure of methylmalonyl-CoA epimerase from mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.48). MolNFT v1 #144454 on GenesisL1: 3D structure, binding sites and…

PDB: 6BU2
Type: protein
Length: 301 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glyoxalase
EC: 5.1.99.1
UniProt: A0A089QP00
Ligands: SO4
Pockets: 5 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glyoxalase (EC 5.1.99.1)	protein	150	27% helix, 39% strand	A0A089QP00
B	Glyoxalase (EC 5.1.99.1)	protein	151	30% helix, 36% strand	A0A089QP00

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	176	0.48	0.76	24	empty
2	138	0.46	0.77	25	empty
3	97	0.37	0.76	20	empty
4	57	0.34	0.77	13	empty
5	73	0.34	0.76	15	empty

Interfaces

1 interface between chains.

A–B · 2025 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6BU2 · Crystal structure of methylmalonyl-CoA epimerase from Mycobacterium tuberculosis · 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 A0A089QP00
Elsewhere: RCSB PDB 6BU2 · PDBe 6BU2 · UniProt A0A089QP00

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