Cobalt in PDB 2bdi: Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine

The structure of Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine, PDB code: 2bdi was solved by M.Debela, W.Bode, P.Goettig, Structural Proteomics In Europe(Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	147.050, 73.860, 154.380, 90.00, 102.41, 90.00
R / Rfree (%)	25.8 / 29.6

The binding sites of Cobalt atom in the Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine (pdb code 2bdi). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine, PDB code: 2bdi:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in the Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Co1 b:62.5 occ:1.00 NE2 A:HIS25 2.3 43.5 1.0 OE2 A:GLU77 2.5 65.5 1.0 CD2 A:HIS25 3.2 42.9 1.0 CE1 A:HIS25 3.3 44.6 1.0 CD A:GLU77 3.5 62.6 1.0 OE1 A:GLU77 3.8 62.7 1.0 CB A:PRO24 4.4 38.0 1.0 CG A:HIS25 4.4 41.8 1.0 ND1 A:HIS25 4.4 43.5 1.0 CD A:PRO78 4.6 59.3 1.0 CB A:HIS71 4.7 41.7 1.0 CG A:GLU77 4.9 58.9 1.0

Cobalt binding site 2 out of 4 in the Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine within 5.0Å range: probe atom residue distance (Å) B Occ E:Co2 b:35.1 occ:1.00 OE2 E:GLU77 2.2 56.0 1.0 O E:HOH731 2.2 30.2 1.0 NE2 E:HIS25 2.3 32.1 1.0 CE1 E:HIS25 3.1 33.7 1.0 CD E:GLU77 3.3 58.9 1.0 CD2 E:HIS25 3.3 33.4 1.0 OE1 E:GLU77 3.8 58.7 1.0 CD E:PRO78 4.0 58.2 1.0 ND1 E:HIS25 4.3 34.1 1.0 CG E:HIS25 4.4 33.7 1.0 CG E:GLU77 4.6 59.7 1.0 CA E:GLU77 4.7 57.1 1.0 CB E:GLU77 4.8 59.7 1.0 CB E:PRO24 4.9 33.2 1.0 CG E:PRO78 5.0 57.6 1.0 CB E:HIS71 5.0 38.8 1.0

Cobalt binding site 3 out of 4 in the Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine within 5.0Å range: probe atom residue distance (Å) B Occ I:Co3 b:63.8 occ:1.00 NE2 I:HIS25 1.9 42.4 1.0 CD2 I:HIS25 2.7 40.4 1.0 CE1 I:HIS25 3.0 44.3 1.0 OE2 I:GLU77 3.1 49.4 1.0 CG I:HIS25 3.9 40.6 1.0 ND1 I:HIS25 4.0 43.2 1.0 CD I:PRO78 4.2 58.4 1.0 CD I:GLU77 4.3 51.5 1.0 CB I:PRO24 4.8 37.5 1.0 CG I:PRO78 4.9 58.5 1.0 OE1 I:GLU77 4.9 49.9 1.0

Cobalt binding site 4 out of 4 in the Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Human Kallikrein 4 Complex with Cobalt and P- Aminobenzamidine within 5.0Å range: probe atom residue distance (Å) B Occ M:Co4 b:28.3 occ:1.00 OE2 M:GLU77 2.1 58.1 1.0 NE2 M:HIS25 2.2 27.8 1.0 CE1 M:HIS25 3.1 27.6 1.0 CD M:GLU77 3.1 57.8 1.0 CD2 M:HIS25 3.2 29.9 1.0 OE1 M:GLU77 3.5 58.1 1.0 ND1 M:HIS25 4.2 27.8 1.0 CG M:HIS25 4.3 30.4 1.0 CD M:PRO78 4.5 57.6 1.0 CB M:HIS71 4.5 39.5 1.0 CG M:GLU77 4.5 56.0 1.0 CB M:PRO24 4.5 31.0 1.0 CB M:GLU77 4.8 53.2 1.0 CA M:GLU77 4.9 54.5 1.0

M.Debela, V.Magdolen, V.Grimminger, C.Sommerhoff, A.Messerschmidt, R.Huber, R.Friedrich, W.Bode, P.Goettig. Crystal Structures of Human Tissue Kallikrein 4: Activity Modulation By A Specific Zinc Binding Site. J.Mol.Biol. V. 362 1094 2006.
ISSN: ISSN 0022-2836
PubMed: 16950394
DOI: 10.1016/J.JMB.2006.08.003