Copper in PDB 2qxj: Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper

All present enzymatic activity of Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper:
3.4.21.117;

The structure of Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper, PDB code: 2qxj was solved by M.Debela, P.Hess, V.Magdolen, N.M.Schechter, W.Bode, P.Goettig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.609, 41.155, 52.742, 90.00, 92.94, 90.00
R / Rfree (%)	21.4 / 24.8

The binding sites of Copper atom in the Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper (pdb code 2qxj). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper, PDB code: 2qxj:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu500 b:52.9 occ:1.00 NE2 A:HIS99 2.2 34.3 1.0 O A:HOH641 2.3 54.6 1.0 O A:HOH625 2.7 67.7 1.0 CD2 A:HIS99 3.0 30.9 1.0 CE1 A:HIS99 3.2 33.6 1.0 CAZ A:K7J300 4.2 34.0 1.0 O A:THR96 4.2 35.9 1.0 CG A:HIS99 4.2 33.3 1.0 ND1 A:HIS99 4.2 33.4 1.0 O A:GLN97 4.4 36.1 1.0 CBA A:K7J300 4.6 33.3 1.0 O A:K7J300 4.9 60.2 1.0

Copper binding site 2 out of 2 in the Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of Human Kallikrein 7 in Complex with Suc- Ala-Ala-Pro-Phe-Chloromethylketone and Copper within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu600 b:80.1 occ:1.00 ND1 A:HIS41 2.3 37.0 1.0 O A:HOH660 2.7 78.3 1.0 CE1 A:HIS41 3.2 37.0 1.0 CG A:HIS41 3.3 32.7 1.0 CA A:HIS41 3.6 31.6 1.0 CB A:HIS41 3.7 31.3 1.0 O A:LEU40 3.9 30.3 1.0 NE2 A:HIS41 4.4 36.1 1.0 CD2 A:HIS41 4.4 34.9 1.0 O A:HIS41 4.5 33.5 1.0 C A:HIS41 4.5 30.6 1.0 N A:HIS41 4.6 29.9 1.0 C A:LEU40 4.6 32.1 1.0

M.Debela, P.Hess, V.Magdolen, N.M.Schechter, T.Steiner, R.Huber, W.Bode, P.Goettig. Chymotryptic Specificity Determinants in the 1.0 A Structure of the Zinc-Inhibited Human Tissue Kallikrein 7. Proc.Natl.Acad.Sci.Usa V. 104 16086 2007.
ISSN: ISSN 0027-8424
PubMed: 17909180
DOI: 10.1073/PNAS.0707811104