Zinc in PDB 4a39: Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid

The structure of Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid, PDB code: 4a39 was solved by A.Otero, M.Rodriguez De La Vega, S.M.Tanco, J.Lorenzo, F.X.Aviles, D.Reverter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.09 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.210, 83.730, 105.570, 90.00, 100.77, 90.00
R / Rfree (%)	21.1 / 22.8

The binding sites of Zinc atom in the Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid (pdb code 4a39). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid, PDB code: 4a39:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1376 b:4.9 occ:1.00 ND1 A:HIS167 2.1 6.7 1.0 ND1 A:HIS260 2.2 5.0 1.0 OE1 A:GLU170 2.2 6.7 1.0 O13 A:GEM1377 2.2 12.4 1.0 OE2 A:GLU170 2.4 4.7 1.0 CD A:GLU170 2.6 4.3 1.0 O12 A:GEM1377 2.7 9.1 1.0 C11 A:GEM1377 2.7 15.5 1.0 CE1 A:HIS167 3.0 5.8 1.0 CE1 A:HIS260 3.1 6.8 1.0 CG A:HIS167 3.2 4.1 1.0 CG A:HIS260 3.2 3.6 1.0 CB A:HIS260 3.5 3.9 1.0 CB A:HIS167 3.6 4.5 1.0 O A:HOH2079 3.6 4.8 1.0 O A:HOH2081 4.0 12.2 1.0 NH1 A:ARG218 4.1 10.4 1.0 NE2 A:HIS167 4.1 4.1 1.0 CG A:GLU170 4.1 5.4 1.0 C10 A:GEM1377 4.2 17.7 1.0 NE2 A:HIS260 4.2 6.0 1.0 CD2 A:HIS167 4.2 6.4 1.0 CD2 A:HIS260 4.3 5.0 1.0 O A:GLY261 4.4 4.2 1.0 CA A:HIS260 4.4 3.2 1.0 N A:GLY261 4.5 3.5 1.0 O14 A:GEM1377 4.6 16.1 1.0 C9 A:GEM1377 4.6 19.2 1.0 S7 A:GEM1377 4.6 27.8 1.0 O A:HOH2082 4.7 12.7 1.0 C8 A:GEM1377 4.7 20.6 1.0 CA A:HIS167 4.9 5.2 1.0 N A:HIS167 4.9 3.4 1.0 CB A:GLU170 4.9 4.0 1.0 OE2 A:GLU335 5.0 13.2 1.0 CZ A:ARG218 5.0 9.9 1.0

Zinc binding site 2 out of 2 in the Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Metallo-Carboxypeptidase From Pseudomonas Aeruginosa in Complex with (2-Guanidinoethylmercapto)Succinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1376 b:4.8 occ:1.00 ND1 B:HIS167 2.1 4.5 1.0 ND1 B:HIS260 2.2 6.9 1.0 OE1 B:GLU170 2.2 5.2 1.0 O B:HOH2066 2.2 18.2 1.0 OE2 B:GLU170 2.5 6.8 1.0 CD B:GLU170 2.6 5.8 1.0 CE1 B:HIS167 3.0 5.4 1.0 CE1 B:HIS260 3.1 7.7 1.0 CG B:HIS260 3.1 4.4 1.0 CG B:HIS167 3.2 4.3 1.0 CB B:HIS260 3.4 4.8 1.0 CB B:HIS167 3.6 5.4 1.0 O B:HOH2064 3.6 3.0 1.0 O B:HOH2068 3.7 14.0 1.0 O B:GLY261 4.1 7.1 1.0 CG B:GLU170 4.1 5.3 1.0 NH1 B:ARG218 4.2 14.6 1.0 NE2 B:HIS167 4.2 5.3 1.0 NE2 B:HIS260 4.2 6.1 1.0 CD2 B:HIS260 4.3 5.8 1.0 CD2 B:HIS167 4.3 5.7 1.0 CA B:HIS260 4.3 4.8 1.0 N B:GLY261 4.4 5.0 1.0 O B:HOH2067 4.6 8.8 1.0 O B:HOH2075 4.8 14.1 1.0 CA B:HIS167 4.9 4.6 1.0 CB B:GLU170 4.9 3.5 1.0 CZ B:ARG218 4.9 14.0 1.0 C B:HIS260 5.0 3.6 1.0 N B:HIS167 5.0 4.4 1.0

A.Otero, M.Rodriguez De La Vega, S.M.Tanco, J.Lorenzo, F.X.Aviles, D.Reverter. The Novel Structure of A Cytosolic M14 Metallocarboxypeptidase (Ccp) From Pseudomonas Aeruginosa: A Model For Mammalian Ccps. Faseb J. V. 26 3754 2012.
ISSN: ISSN 0892-6638
PubMed: 22645247
DOI: 10.1096/FJ.12-209601