Zinc in PDB 7baf: Crystal Structure of Pafb in Complex with Zinc

The structure of Crystal Structure of Pafb in Complex with Zinc, PDB code: 7baf was solved by F.Guagnini, A.Huber, J.M.Alex, F.Marx, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.53 / 1.12
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	32.942, 32.942, 42.825, 90, 90, 120
R / Rfree (%)	18.2 / 18.5

The binding sites of Zinc atom in the Crystal Structure of Pafb in Complex with Zinc (pdb code 7baf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of Pafb in Complex with Zinc, PDB code: 7baf:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of Pafb in Complex with Zinc


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 Pafb in Complex with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn106 b:8.3 occ:1.00 ND1 A:HIS10 2.0 7.9 1.0 CE1 A:HIS10 2.9 9.8 1.0 CG A:HIS10 3.1 8.9 1.0 CB A:HIS10 3.4 8.7 1.0 NE2 A:HIS10 4.1 11.5 1.0 CD2 A:HIS10 4.2 10.7 1.0 CA A:HIS10 4.2 9.6 1.0 O A:HIS10 4.6 8.6 1.0 C A:HIS10 4.9 8.9 1.0 CG2 A:THR12 5.0 8.7 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Pafb in Complex with Zinc


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 Pafb in Complex with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn107 b:9.7 occ:1.00 O A:ACT102 1.9 13.4 1.0 ND1 A:HIS22 2.0 7.8 1.0 OXT A:ACT104 2.1 12.7 1.0 C A:ACT102 2.8 12.3 1.0 CE1 A:HIS22 2.9 9.1 1.0 C A:ACT104 2.9 14.1 1.0 OXT A:ACT102 3.0 11.6 1.0 CG A:HIS22 3.1 7.7 1.0 O A:ACT104 3.2 15.1 1.0 CB A:HIS22 3.6 7.2 1.0 O A:HOH224 3.8 14.4 1.0 O A:HOH204 3.9 16.2 1.0 NE2 A:HIS22 4.1 9.3 1.0 CA A:HIS22 4.2 6.8 1.0 O A:HOH225 4.2 24.1 1.0 CH3 A:ACT102 4.2 12.9 1.0 CD2 A:HIS22 4.2 8.5 1.0 CH3 A:ACT104 4.4 15.3 1.0 H1 A:ACT104 4.5 19.5 0.0 OH A:TYR15 4.6 12.8 1.0 O A:ASN21 4.8 8.9 1.0 O A:HOH237 4.9 32.7 1.0 N A:VAL23 5.0 6.4 1.0 H2 A:ACT104 5.0 19.7 0.0

Zinc binding site 3 out of 3 in the Crystal Structure of Pafb in Complex with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Pafb in Complex with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn108 b:13.5 occ:1.00 OXT A:ACT105 1.9 26.0 1.0 NE2 A:HIS39 1.9 8.6 1.0 O A:ACT103 2.0 14.7 1.0 C A:ACT105 2.6 26.6 1.0 O A:ACT105 2.7 26.7 1.0 C A:ACT103 2.7 15.0 1.0 OXT A:ACT103 2.8 15.3 1.0 CD2 A:HIS39 3.0 8.2 1.0 CE1 A:HIS39 3.0 8.5 1.0 CH3 A:ACT105 4.1 26.9 1.0 CG A:HIS39 4.1 8.0 1.0 ND1 A:HIS39 4.1 7.6 1.0 CH3 A:ACT103 4.2 15.9 1.0 O A:HOH231 4.3 15.2 1.0 H2 A:ACT105 4.5 33.6 0.0 H3 A:ACT105 4.5 33.3 0.0 CB A:PRO55 4.6 13.1 1.0 CA A:PRO55 4.7 11.8 1.0 H1 A:ACT105 4.7 33.7 0.0 O A:HOH247 4.8 20.4 1.0 O A:HOH229 4.9 11.1 1.0

F.Guagnini, A.Huber, J.M.Alex, F.Marx, P.B.Crowley. Porous Assembly of An Antifungal Protein Mediated By Zinc and Sulfonato-Calix[8]Arene. J.Struct.Biol. 07711 2021.
ISSN: ESSN 1095-8657
PubMed: 33631304
DOI: 10.1016/J.JSB.2021.107711