Arsenic in PDB 3vfj: The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier

The structure of The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier, PDB code: 3vfj was solved by N.J.Economou, S.D.Weeks, K.C.Grasty, P.J.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.89 / 2.05
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	40.320, 123.610, 156.740, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.1

The structure of The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	8 atoms

The binding sites of Arsenic atom in the The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier (pdb code 3vfj). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier, PDB code: 3vfj:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier within 5.0Å range: probe atom residue distance (Å) B Occ A:As411 b:53.5 occ:1.00 AS A:CAC411 0.0 53.5 1.0 O2 A:CAC411 1.7 48.8 1.0 O1 A:CAC411 1.8 40.7 1.0 C2 A:CAC411 2.0 45.7 1.0 C1 A:CAC411 2.0 41.4 1.0 OZ2 A:CCS374 3.4 48.9 1.0 CE A:CCS374 3.5 51.8 1.0 OZ1 A:CCS374 3.8 50.0 1.0 CD A:CCS374 4.0 47.7 1.0 O2 G:CAC104 4.7 39.5 1.0

Arsenic binding site 2 out of 2 in the The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of The Structure of Monodechloro-Teicoplanin in Complex with Its Ligand, Using Mbp As A Ligand Carrier within 5.0Å range: probe atom residue distance (Å) B Occ G:As104 b:33.7 occ:1.00 AS G:CAC104 0.0 33.7 1.0 O1 G:CAC104 1.7 31.0 1.0 O2 G:CAC104 1.7 39.5 1.0 C2 G:CAC104 2.0 27.0 1.0 C1 G:CAC104 2.0 31.4 1.0 O G:T559 3.6 29.2 1.0 O1 A:CAC411 4.0 40.7 1.0 C G:T559 4.7 28.8 1.0 O4 G:GHP4 4.8 25.2 1.0 OH G:OMX6 5.0 28.5 1.0 CAK G:T559 5.0 30.5 1.0 C2 A:CAC411 5.0 45.7 1.0 C2 G:GCS8 5.0 24.7 1.0

N.J.Economou, I.J.Zentner, E.Lazo, J.Jakoncic, V.Stojanoff, S.D.Weeks, K.C.Grasty, S.Cocklin, P.J.Loll. Structure of the Complex Between Teicoplanin and A Bacterial Cell-Wall Peptide: Use of A Carrier-Protein Approach. Acta Crystallogr.,Sect.D V. 69 520 2013.
ISSN: ISSN 0907-4449
PubMed: 23519660
DOI: 10.1107/S0907444912050469