Zinc in PDB 2rfh: Crystal Structure Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex

All present enzymatic activity of Crystal Structure Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex:
3.4.17.1;

The structure of Crystal Structure Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex, PDB code: 2rfh was solved by S.-F.Wang, Z.-H.Zeng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.297, 62.698, 48.974, 90.00, 96.99, 90.00
R / Rfree (%)	19.3 / 22.7

The binding sites of Zinc atom in the Crystal Structure Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex (pdb code 2rfh). 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 Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex, PDB code: 2rfh:

Zinc binding site 1 out of 1 in the Crystal Structure Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure Analysis of Cpa-2-Benzyl-3-Nitropropanoic Acid Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1308 b:9.3 occ:1.00 ND1 A:HIS196 2.1 4.2 1.0 OAB A:23N1309 2.1 17.0 1.0 ND1 A:HIS69 2.1 5.1 1.0 OE2 A:GLU72 2.2 4.5 1.0 OE1 A:GLU72 2.5 3.2 1.0 CD A:GLU72 2.7 2.7 1.0 NAO A:23N1309 2.7 21.2 1.0 CE1 A:HIS196 3.0 7.5 1.0 CE1 A:HIS69 3.1 6.4 1.0 OAC A:23N1309 3.1 17.5 1.0 CG A:HIS196 3.1 5.2 1.0 CG A:HIS69 3.1 6.1 1.0 CB A:HIS196 3.4 4.5 1.0 CB A:HIS69 3.5 4.6 1.0 O A:HOH1450 4.0 14.9 1.0 O A:HOH1377 4.0 13.1 1.0 NE2 A:HIS196 4.1 6.8 1.0 O A:SER197 4.1 4.9 1.0 CAK A:23N1309 4.2 22.2 1.0 CG A:GLU72 4.2 4.0 1.0 NE2 A:HIS69 4.2 5.8 1.0 CD2 A:HIS196 4.2 5.2 1.0 O A:HOH1360 4.2 9.4 1.0 CD2 A:HIS69 4.3 4.4 1.0 O A:HOH1318 4.3 6.7 1.0 CA A:HIS196 4.3 4.2 1.0 OE2 A:GLU270 4.4 8.5 1.0 NH2 A:ARG127 4.4 15.2 1.0 N A:SER197 4.6 4.8 1.0 OE1 A:GLU270 4.7 7.1 1.0 CA A:HIS69 4.8 4.7 1.0 OAD A:23N1309 4.9 28.4 1.0 CAN A:23N1309 4.9 25.9 1.0 CD A:GLU270 4.9 8.6 1.0 N A:HIS69 5.0 4.2 1.0

S.-H.Wang, S.-F.Wang, W.Xuan, Z.-H.Zeng, J.-Y.Jin, J.Ma, G.R.Tian. Nitro As A Novel Zinc-Binding Group in the Inhibition of Carboxypeptidase A Bioorg.Med.Chem. V. 16 3596 2008.
ISSN: ISSN 0968-0896
PubMed: 18289863
DOI: 10.1016/J.BMC.2008.02.010