Zinc in PDB 1i1e: Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin

All present enzymatic activity of Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin:
3.4.24.69;

The structure of Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin, PDB code: 1i1e was solved by S.Eswaramoorthy, D.Kumaran, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.270, 122.930, 95.420, 90.00, 112.95, 90.00
R / Rfree (%)	21.7 / 27.6

The binding sites of Zinc atom in the Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin (pdb code 1i1e). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin, PDB code: 1i1e:

Zinc binding site 1 out of 1 in the Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Clostridium Botulinum Neurotoxin B Complexed with Doxorubicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1291 b:35.2 occ:1.00 O2 A:SO41292 2.1 37.2 1.0 NE2 A:HIS229 2.2 13.9 1.0 NE2 A:HIS233 2.3 20.6 1.0 OE1 A:GLU267 2.3 26.4 1.0 OE2 A:GLU267 2.7 26.5 1.0 CD A:GLU267 2.8 26.9 1.0 S A:SO41292 2.9 34.0 1.0 O3 A:SO41292 3.0 36.0 1.0 CE1 A:HIS229 3.1 13.1 1.0 CD2 A:HIS229 3.1 14.2 1.0 O4 A:SO41292 3.2 37.7 1.0 CE1 A:HIS233 3.2 19.0 1.0 CD2 A:HIS233 3.3 19.7 1.0 ND1 A:HIS229 4.2 16.1 1.0 CG A:HIS229 4.3 15.8 1.0 O1 A:SO41292 4.3 39.9 1.0 ND1 A:HIS233 4.3 19.1 1.0 CG A:GLU267 4.3 23.6 1.0 CG A:HIS233 4.4 19.7 1.0 CG2 A:THR270 4.6 11.5 1.0 O A:HOH1350 4.6 30.7 1.0 OE2 A:GLU230 4.8 22.7 1.0 CB A:THR270 4.9 13.7 1.0

S.Eswaramoorthy, D.Kumaran, S.Swaminathan. Crystallographic Evidence For Doxorubicin Binding to the Receptor-Binding Site in Clostridium Botulinum Neurotoxin B. Acta Crystallogr.,Sect.D V. 57 1743 2001.
ISSN: ISSN 0907-4449
PubMed: 11679763
DOI: 10.1107/S0907444901013531