Nickel in PDB 4kga: Crystal Structure of Kallikrein-Related Peptidase 4

The structure of Crystal Structure of Kallikrein-Related Peptidase 4, PDB code: 4kga was solved by O.V.Ilyichova, J.E.Swedberg, S.J.De Veer, K.C.Sit, J.M.Harris, A.M.Buckle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.65 / 2.32
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	99.308, 99.308, 41.019, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.4

The binding sites of Nickel atom in the Crystal Structure of Kallikrein-Related Peptidase 4 (pdb code 4kga). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Crystal Structure of Kallikrein-Related Peptidase 4, PDB code: 4kga:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the Crystal Structure of Kallikrein-Related Peptidase 4


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Kallikrein-Related Peptidase 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni301 b:0.6 occ:1.00 OE2 A:GLU77 1.9 74.6 1.0 O A:HOH405 1.9 86.5 1.0 O A:HOH416 1.9 91.5 1.0 OE1 A:GLU77 2.3 85.0 1.0 NE2 A:HIS26 2.3 0.7 1.0 CD A:GLU77 2.3 80.0 1.0 CE1 A:HIS26 3.2 0.8 1.0 CD2 A:HIS26 3.3 0.9 1.0 CG A:GLU77 3.8 81.3 1.0 CB A:PRO25 4.2 98.8 1.0 ND1 A:HIS26 4.4 99.0 1.0 CG A:HIS26 4.4 98.9 1.0 CB A:GLU77 4.7 84.2 1.0

Nickel binding site 2 out of 4 in the Crystal Structure of Kallikrein-Related Peptidase 4


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Kallikrein-Related Peptidase 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:90.1 occ:1.00 O A:HOH427 2.0 57.0 1.0 NE2 A:HIS57 2.0 47.5 1.0 OG A:SER193 2.0 76.5 1.0 CE1 A:HIS57 2.8 45.4 1.0 CD2 A:HIS57 2.9 45.5 1.0 CB A:SER193 3.0 69.0 1.0 O A:SER208 3.6 55.1 1.0 O A:HOH402 3.7 71.0 1.0 ND1 A:HIS57 3.8 42.5 1.0 CG A:HIS57 3.9 45.3 1.0 CA A:SER193 4.3 61.1 1.0 C A:SER208 4.8 51.4 1.0

Nickel binding site 3 out of 4 in the Crystal Structure of Kallikrein-Related Peptidase 4


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Kallikrein-Related Peptidase 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni301 b:89.1 occ:1.00 OG B:SER193 2.0 70.6 1.0 NE2 B:HIS57 2.6 52.8 1.0 CB B:SER193 3.2 60.9 1.0 CD2 B:HIS57 3.3 49.5 1.0 CE1 B:HIS57 3.5 51.7 1.0 O B:SER208 3.8 52.2 1.0 CA B:SER193 4.4 55.3 1.0 CG B:HIS57 4.4 49.4 1.0 ND1 B:HIS57 4.5 51.9 1.0 C B:SER208 4.9 49.1 1.0

Nickel binding site 4 out of 4 in the Crystal Structure of Kallikrein-Related Peptidase 4


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Crystal Structure of Kallikrein-Related Peptidase 4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni302 b:0.4 occ:1.00 NE2 B:HIS26 1.9 0.2 1.0 O B:HOH417 2.0 58.3 1.0 OE2 B:GLU77 2.1 86.3 1.0 CD B:GLU77 2.1 91.5 1.0 OE1 B:GLU77 2.3 97.4 1.0 CE1 B:HIS26 2.7 0.1 1.0 O B:HOH416 3.0 62.3 1.0 CD2 B:HIS26 3.0 0.4 1.0 CG B:GLU77 3.2 91.8 1.0 ND1 B:HIS26 3.8 0.2 1.0 CG B:HIS26 4.0 0.6 1.0 CB B:PRO25 4.2 0.9 1.0 CB B:GLU77 4.2 94.8 1.0 CB B:HIS70 4.3 1.0 1.0 CG B:HIS70 4.7 0.2 1.0 CD2 B:HIS70 4.7 0.7 1.0

O.V.Ilyichova, J.E.Swedberg, S.J.De Veer, K.C.Sit, J.M.Harris, A.M.Buckle. Atomic Resolution Crystal Structures of Kallikrein-Related Peptidase 4 : Sfti Inhibitor Complexes To Be Published.