Zinc in PDB 6szw: Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery

All present enzymatic activity of Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery:
3.4.21.38;

The structure of Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery, PDB code: 6szw was solved by B.G.Kaira, J.Emsley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.99 / 3.14
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.290, 71.560, 115.857, 90.00, 110.64, 90.00
R / Rfree (%)	19.5 / 25.1

The binding sites of Zinc atom in the Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery (pdb code 6szw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery, PDB code: 6szw:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:84.0 occ:1.00 OD2 A:ASP185 2.0 56.8 1.0 NE2 A:HIS187 2.2 60.4 1.0 CG A:ASP185 3.0 56.6 1.0 CE1 A:HIS187 3.0 65.1 1.0 OD1 A:ASP185 3.2 58.2 1.0 CD2 A:HIS187 3.3 62.2 1.0 ND2 A:ASN167 3.9 84.8 1.0 ND1 A:HIS187 4.2 63.4 1.0 CG A:HIS187 4.4 59.7 1.0 CB A:ASP185 4.4 52.0 1.0 CG A:ASN167 4.6 80.5 1.0 CB A:ARG207 4.9 71.7 1.0 CB A:ASN167 5.0 70.6 1.0

Zinc binding site 2 out of 3 in the Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:71.6 occ:1.00 OD2 B:ASP185 2.0 72.7 1.0 NE2 B:HIS187 2.3 77.8 1.0 O B:HOH401 2.4 56.5 1.0 O B:HOH402 2.7 33.9 1.0 CG B:ASP185 3.0 67.7 1.0 CE1 B:HIS187 3.1 82.9 1.0 OD1 B:ASP185 3.2 70.0 1.0 CD2 B:HIS187 3.4 77.1 1.0 ND2 B:ASN167 4.1 89.5 1.0 ND1 B:HIS187 4.3 79.6 1.0 CB B:ASP185 4.4 57.7 1.0 CG B:HIS187 4.4 71.6 1.0 CG B:ASN167 4.8 84.5 1.0 CB B:ARG207 4.9 67.7 1.0

Zinc binding site 3 out of 3 in the Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Asymmetric Complex of Factor XII and Kininogen with GC1QR/C1QBP/P32 Is Governed By Allostery within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:67.1 occ:0.82 OD2 C:ASP185 2.0 58.9 1.0 NE2 C:HIS187 2.1 83.3 1.0 O C:HOH402 2.4 53.4 1.0 O C:HOH404 3.0 43.5 1.0 CG C:ASP185 3.0 55.9 1.0 CE1 C:HIS187 3.0 87.4 1.0 CD2 C:HIS187 3.1 81.3 1.0 OD1 C:ASP185 3.3 60.1 1.0 ND1 C:HIS187 4.1 81.4 1.0 CG C:HIS187 4.1 76.1 1.0 CB C:ASP185 4.4 50.2 1.0 ND2 C:ASN167 4.6 80.9 1.0 CB C:ARG207 4.6 71.0 1.0 CG C:ASN167 4.9 77.4 1.0 CG C:ARG207 5.0 84.7 1.0 NE C:ARG207 5.0 0.8 1.0

B.G.Kaira, A.Slater, K.R.Mccrae, I.Dreveny, U.Sumya, N.J.Mutch, M.Searle, J.Emsley. Factor XII and Kininogen Asymmetric Assembly with GC1QR/C1QBP/P32 Is Governed By Allostery. Blood V. 136 1685 2020.
ISSN: ESSN 1528-0020
PubMed: 32559765
DOI: 10.1182/BLOOD.2020004818