MolNFT v1 · #50047 · protein

Structure of a R132K variant pduo-type ATP:CO(I)RRINOID adenosyltransferase from lactobacillus reuteri complexed with ATP

2R6T · Cobalamin adenosyltransferase pduo-like protein: “Structure of a R132K variant pduo-type ATP:CO(I)RRINOID adenosyltransferase from lactobacillus reuteri…”. X-ray diffraction, 2 ligands (ATP, MG), 1 pocket (best druggability 0.47).…

PDB: 2R6T
Type: protein
Length: 352 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cobalamin adenosyltransferase pduo-like protein
UniProt: Q50EJ2
Ligands: ATP, MG
Pockets: 1 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cobalamin adenosyltransferase pduo-like protein	protein	177	60% helix, 6% strand	Q50EJ2
B	Cobalamin adenosyltransferase pduo-like protein	protein	175	60% helix, 5% strand	Q50EJ2

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	173	0.47	0.76	34	empty

Interfaces

1 interface between chains.

A–B · 399 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2R6T · Structure of a R132K variant PduO-type ATP:co(I)rrinoid adenosyltransferase from… · 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 Q50EJ2
Elsewhere: RCSB PDB 2R6T · PDBe 2R6T · UniProt Q50EJ2

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