Zinc in PDB 3f6q: Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain

All present enzymatic activity of Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain:
2.7.11.1;

The structure of Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain, PDB code: 3f6q was solved by B.P.Chiswell, D.A.Calderwood, T.J.Boggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.89 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	37.004, 41.500, 46.469, 78.01, 68.98, 85.91
R / Rfree (%)	16.1 / 19.9

The structure of Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain also contains other interesting chemical elements:

Iodine

(I)

18 atoms

The binding sites of Zinc atom in the Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain (pdb code 3f6q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain, PDB code: 3f6q:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain


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 Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:12.2 occ:1.00 OD2 B:ASP62 2.0 14.1 1.0 SG B:CYS38 2.3 12.4 1.0 SG B:CYS59 2.4 14.3 1.0 SG B:CYS41 2.4 12.9 1.0 CB B:CYS38 3.0 11.9 1.0 CG B:ASP62 3.1 10.8 1.0 CB B:CYS41 3.4 11.8 1.0 CB B:CYS59 3.4 13.9 1.0 CB B:ASP62 3.5 12.1 1.0 N B:CYS41 3.7 11.5 1.0 N B:CYS59 4.0 12.9 1.0 CA B:CYS41 4.1 11.6 1.0 OD1 B:ASP62 4.2 12.9 1.0 CA B:CYS59 4.2 13.0 1.0 O B:HOH138 4.3 17.6 1.0 CA B:CYS38 4.5 11.8 1.0 O B:HOH186 4.5 19.8 1.0 CB B:GLN40 4.5 11.8 1.0 N B:ASP62 4.5 11.9 1.0 CA B:ASP62 4.7 12.0 1.0 C B:GLN40 4.7 11.7 1.0 NE2 A:HIS99 4.7 10.6 1.0 N B:GLN40 4.8 11.0 1.0 CA B:GLN40 4.9 11.8 1.0 C B:CYS59 4.9 13.4 1.0 C B:CYS38 4.9 12.0 1.0 CE1 A:HIS99 5.0 12.8 1.0 O B:CYS59 5.0 13.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain


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 Integrin-Linked Kinase Ankyrin Repeat Domain in Complex with PINCH1 LIM1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:21.3 occ:1.00 SG B:CYS35 2.3 20.3 1.0 ND1 B:HIS32 2.3 22.7 1.0 SG B:CYS13 2.3 23.8 1.0 SG B:CYS10 2.4 20.2 1.0 CB B:CYS10 3.0 21.8 1.0 CB B:CYS35 3.2 18.2 1.0 CE1 B:HIS32 3.2 22.2 1.0 CB B:CYS13 3.2 23.5 1.0 CG B:HIS32 3.3 20.7 1.0 CB B:HIS32 3.6 19.9 1.0 N B:CYS13 3.8 22.5 1.0 N B:HIS32 4.0 18.5 1.0 CA B:CYS13 4.1 23.2 1.0 NE2 B:HIS32 4.4 21.8 1.0 CD2 B:HIS32 4.4 21.3 1.0 CA B:HIS32 4.4 19.5 1.0 CA B:CYS10 4.5 21.8 1.0 CA B:CYS35 4.6 17.9 1.0 CB B:ARG12 4.7 19.5 1.0 C B:CYS13 4.8 24.4 1.0 NE B:ARG12 4.8 15.9 1.0 O A:HOH298 4.9 38.2 1.0 N B:LYS14 4.9 25.5 1.0 N B:CYS35 5.0 18.0 1.0 C B:ARG12 5.0 21.2 1.0

B.P.Chiswell, R.Zhang, J.W.Murphy, T.J.Boggon, D.A.Calderwood. The Structural Basis of Integrin-Linked Kinase-Pinch Interactions. Proc.Natl.Acad.Sci.Usa V. 105 20677 2008.
ISSN: ISSN 0027-8424
PubMed: 19074270
DOI: 10.1073/PNAS.0811415106