Chlorine in PDB 4mph: Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound

The structure of Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound, PDB code: 4mph was solved by P.J.Stogios, Z.Wawrzak, O.Onopriyenko, T.Skarina, S.Shatsman, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomicsof Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.31 / 2.03
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.831, 112.337, 125.666, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.9

The structure of Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound (pdb code 4mph). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound, PDB code: 4mph:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:48.0 occ:1.00 ZN A:ZN400 2.1 18.2 0.6 OD2 A:ASP167 3.1 20.8 1.0 O A:HOH718 3.2 50.0 1.0 ND1 A:HIS219 3.2 29.4 1.0 OE1 A:GLU216 3.2 23.6 1.0 O A:HOH599 3.2 48.6 1.0 OD1 A:ASP167 3.4 13.3 1.0 NE2 A:HIS160 3.5 22.3 1.0 NE1 A:TRP218 3.5 15.9 1.0 CG A:ASP167 3.6 18.9 1.0 CE1 A:HIS219 4.0 22.6 1.0 CD2 A:HIS160 4.1 24.2 1.0 CD A:GLU216 4.2 25.1 1.0 NH2 A:ARG127 4.2 55.6 1.0 CG A:HIS219 4.2 26.9 1.0 CD1 A:TRP218 4.3 17.5 1.0 CB A:HIS219 4.5 18.1 1.0 OE2 A:GLU216 4.5 27.4 1.0 CE1 A:HIS160 4.6 27.9 1.0 CE2 A:TRP218 4.6 18.3 1.0 O A:HOH697 4.7 49.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Baldcb / Vany-Like L,D-Carboxypeptidase Zinc(II)- Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:54.0 occ:1.00 ZN B:ZN301 2.1 17.6 0.5 O B:HOH642 2.5 44.5 1.0 OD2 B:ASP167 3.1 20.7 1.0 ND1 B:HIS219 3.2 25.7 1.0 OE1 B:GLU216 3.3 31.4 1.0 NE1 B:TRP218 3.4 25.2 1.0 OD1 B:ASP167 3.5 18.8 1.0 NE2 B:HIS160 3.5 23.0 1.0 CG B:ASP167 3.6 22.4 1.0 CE1 B:HIS219 4.0 29.5 1.0 CG B:HIS219 4.2 28.9 1.0 CD2 B:HIS160 4.3 19.4 1.0 CD1 B:TRP218 4.3 25.9 1.0 CD B:GLU216 4.3 37.1 1.0 CB B:HIS219 4.4 23.6 1.0 CE2 B:TRP218 4.5 28.1 1.0 O B:HOH604 4.5 56.3 1.0 O B:HOH513 4.5 56.0 1.0 CE1 B:HIS160 4.6 24.2 1.0 OE2 B:GLU216 4.7 42.1 1.0 CZ2 B:TRP218 4.8 29.5 1.0 O B:HOH435 4.8 45.3 1.0

C.N.Hoyland, C.Aldridge, R.M.Cleverley, M.C.Duchene, G.Minasov, O.Onopriyenko, K.Sidiq, P.J.Stogios, W.F.Anderson, R.A.Daniel, A.Savchenko, W.Vollmer, R.J.Lewis. Structure of the Ldcb Ld-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure V. 22 949 2014.
ISSN: ISSN 0969-2126
PubMed: 24909784
DOI: 10.1016/J.STR.2014.04.015