MolNFT v1 · #169431 · protein

Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-CARBA(DETHIA)-CoA

6XBQ: “Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-CARBA(DETHIA)-CoA”. X-ray diffraction, 3 ligands (CMX, CO, SO4), 1 pocket (best druggability 0.62). MolNFT v1 #169431 on GenesisL1: 3D structure, binding…

PDB: 6XBQ
Type: protein
Length: 144 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methylmalonyl-CoA epimerase
UniProt: Q9L2C2
Ligands: CMX, CO, SO4
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methylmalonyl-CoA epimerase	protein	144	25% helix, 40% strand	Q9L2C2

Ligands and binding sites

CMX · Carboxymethyldethia coenzyme *A · ligand · chains A
CO · Cobalt (II) ion · metal · chains A
SO4 · Sulfate ion · ion · 2 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	150	0.62	0.85	35	CMX

Compared structures

6XBQ · Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with… · 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 Q9L2C2
Elsewhere: RCSB PDB 6XBQ · PDBe 6XBQ · UniProt Q9L2C2

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