Zinc in PDB 2psy: Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc

The structure of Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc, PDB code: 2psy was solved by M.Debela, W.Bode, P.Goettig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.532, 66.543, 39.580, 90.00, 95.14, 90.00
R / Rfree (%)	21 / 23.5

The binding sites of Zinc atom in the Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc (pdb code 2psy). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc, PDB code: 2psy:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc


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 Human Kallikrein 5 in Complex with Leupeptin and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2000 b:53.8 occ:1.00 ND1 A:HIS96 2.1 63.6 1.0 O B:HOH36 2.2 31.5 1.0 NE2 A:HIS99 2.3 41.5 1.0 O A:HOH2062 2.5 41.8 1.0 CE1 A:HIS96 2.8 64.4 1.0 CD2 A:HIS99 3.2 39.0 1.0 CG A:HIS96 3.2 62.4 1.0 CE1 A:HIS99 3.3 41.6 1.0 CD1 B:LEU503 3.6 40.8 1.0 CB A:HIS96 3.7 57.0 1.0 NE2 A:HIS96 4.0 65.2 1.0 CD2 A:HIS96 4.2 63.4 1.0 CA A:HIS96 4.3 53.8 1.0 CG A:HIS99 4.4 39.9 1.0 ND1 A:HIS99 4.4 42.3 1.0 OH A:TYR94 4.5 40.0 1.0 CA A:PRO97 4.5 49.8 1.0 CG B:LEU503 4.6 41.6 1.0 O B:HOH48 5.0 53.4 1.0 O B:HOH101 5.0 66.5 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2001 b:97.3 occ:1.00 NE2 A:HIS25 2.5 48.6 1.0 O A:HOH2113 2.8 80.3 1.0 OD1 A:ASP117 2.8 60.2 1.0 CD2 A:HIS25 3.0 48.9 1.0 OD2 A:ASP117 3.3 59.0 1.0 CG A:ASP117 3.4 58.5 1.0 CE1 A:HIS25 3.7 48.4 1.0 CG A:HIS25 4.3 48.9 1.0 ND1 A:HIS25 4.6 49.5 1.0 CB A:ASP117 4.9 54.5 1.0 CG A:LYS116 4.9 54.8 0.0

Zinc binding site 3 out of 3 in the Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Kallikrein 5 in Complex with Leupeptin and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn2002 b:0.5 occ:1.00 O A:HOH2112 2.6 60.0 1.0 O A:HOH2063 2.9 61.3 1.0 NE2 A:HIS150 3.1 56.0 1.0 CE1 A:HIS150 3.5 55.1 1.0 CD2 A:HIS150 4.1 54.8 1.0 O A:PHE151 4.4 42.6 1.0 ND1 A:HIS150 4.6 56.4 1.0 NZ A:LYS153 4.8 53.5 1.0 CG A:HIS150 5.0 52.7 1.0

M.Debela, P.Goettig, V.Magdolen, R.Huber, N.M.Schechter, W.Bode. Structural Basis of the Zinc Inhibition of Human Tissue Kallikrein 5. J.Mol.Biol. V. 373 1017 2007.
ISSN: ISSN 0022-2836
PubMed: 17881000
DOI: 10.1016/J.JMB.2007.08.042