MolNFT v1 · #32569 · protein

Structure of AAC(6')-ib in complex with ribostamycin and coenzyme a.

2BUE: “Structure of AAC(6')-ib in complex with ribostamycin and coenzyme a.”. X-ray diffraction, 3 ligands (COA, RIO, CA), 1 pocket (best druggability 0.77). MolNFT v1 #32569 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2BUE
Type: protein
Length: 179 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AAC(6')-ib
EC: 2.3.1.82
UniProt: Q6SJ71
Ligands: COA, RIO, CA
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AAC(6')-ib (EC 2.3.1.82)	protein	179	37% helix, 29% strand	Q6SJ71

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
RIO · Ribostamycin · ligand · chains A
CA · Calcium ion · metal · 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	633	0.77	0.83	58	COA, RIO

Compared structures

2BUE · Structure of AAC(6')-Ib in complex with Ribostamycin and Coenzyme A. · 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 Q6SJ71
Elsewhere: RCSB PDB 2BUE · PDBe 2BUE · UniProt Q6SJ71

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