Zinc in PDB 3ixe: Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase

All present enzymatic activity of Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase:
2.7.11.1;

The structure of Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase, PDB code: 3ixe was solved by B.P.Chiswell, A.L.Stiegler, T.J.Boggon, D.A.Calderwood, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.416, 72.010, 83.937, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22

The binding sites of Zinc atom in the Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase (pdb code 3ixe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase, PDB code: 3ixe:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:12.6 occ:1.00 SG B:CYS10 2.3 15.1 1.0 ND1 B:HIS32 2.3 15.7 1.0 SG B:CYS35 2.3 12.0 1.0 SG B:CYS13 2.3 11.7 1.0 CB B:CYS10 3.0 16.2 1.0 CB B:CYS35 3.2 12.2 1.0 CG B:HIS32 3.3 15.4 1.0 CE1 B:HIS32 3.3 15.6 1.0 CB B:CYS13 3.3 13.0 1.0 CB B:HIS32 3.5 15.7 1.0 N B:CYS13 3.8 13.5 1.0 O B:HOH180 4.0 29.2 1.0 N B:HIS32 4.1 16.8 1.0 CA B:CYS13 4.1 13.3 1.0 NE2 B:HIS32 4.4 15.0 1.0 CD2 B:HIS32 4.4 14.5 1.0 CA B:HIS32 4.4 16.0 1.0 CA B:CYS10 4.4 16.4 1.0 CA B:CYS35 4.6 12.3 1.0 NE2 B:HIS34 4.7 18.3 1.0 CB B:ARG12 4.7 14.0 1.0 NE B:ARG12 4.8 10.1 1.0 C B:CYS13 4.8 13.8 1.0 C B:ARG12 4.9 13.9 1.0 NH2 B:ARG12 4.9 9.0 1.0 C B:CYS10 5.0 16.2 1.0 N B:GLN14 5.0 14.3 1.0

Zinc binding site 2 out of 2 in the Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:10.6 occ:1.00 OD2 B:ASP62 2.0 10.5 1.0 SG B:CYS59 2.3 10.5 1.0 SG B:CYS38 2.3 8.8 1.0 SG B:CYS41 2.3 9.1 1.0 CB B:CYS38 3.0 10.2 1.0 CG B:ASP62 3.0 9.9 1.0 CB B:CYS41 3.3 8.2 1.0 CB B:CYS59 3.4 10.3 1.0 CB B:ASP62 3.5 9.5 1.0 N B:CYS41 3.7 8.5 1.0 O B:HOH77 3.9 13.8 1.0 N B:CYS59 4.0 10.4 1.0 CA B:CYS41 4.1 8.5 1.0 OD1 B:ASP62 4.1 9.3 1.0 O B:HOH82 4.2 13.6 1.0 CA B:CYS59 4.3 10.3 1.0 CB B:GLN40 4.4 7.9 1.0 CA B:CYS38 4.5 9.9 1.0 N B:ASP62 4.5 9.2 1.0 C B:GLN40 4.6 8.5 1.0 CA B:ASP62 4.7 9.4 1.0 CA B:GLN40 4.9 8.3 1.0 N B:GLN40 4.9 8.6 1.0 NE2 A:HIS99 4.9 7.1 1.0 C B:CYS41 5.0 8.6 1.0 C B:CYS59 5.0 10.5 1.0 C B:CYS38 5.0 9.6 1.0 O B:CYS59 5.0 10.5 1.0

B.P.Chiswell, A.L.Stiegler, Z.Razinia, E.Nalibotski, T.J.Boggon, D.A.Calderwood. Structural Basis of Competition Between PINCH1 and PINCH2 For Binding to the Ankyrin Repeat Domain of Integrin-Linked Kinase. J.Struct.Biol. V. 170 157 2010.
ISSN: ISSN 1047-8477
PubMed: 19963065
DOI: 10.1016/J.JSB.2009.12.002