Zinc in PDB 7bad: Crystal Structure of Pafb in Complex with P-Sulfonato-Calix[8]Arene and Zinc

The structure of Crystal Structure of Pafb in Complex with P-Sulfonato-Calix[8]Arene and Zinc, PDB code: 7bad 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)	31.82 / 1.69
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	101.175, 101.175, 46.303, 90, 90, 120
R / Rfree (%)	22.9 / 26.7

The binding sites of Zinc atom in the Crystal Structure of Pafb in Complex with P-Sulfonato-Calix[8]Arene and Zinc (pdb code 7bad). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Pafb in Complex with P-Sulfonato-Calix[8]Arene and Zinc, PDB code: 7bad:

Zinc binding site 1 out of 1 in the Crystal Structure of Pafb in Complex with P-Sulfonato-Calix[8]Arene and 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 P-Sulfonato-Calix[8]Arene and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:20.2 occ:1.00 O2 A:PO4103 1.9 22.0 0.3 O1 A:PO4104 1.9 19.2 0.3 NE2 A:HIS46 2.0 21.5 1.0 CE1 A:HIS46 3.0 23.2 1.0 CD2 A:HIS46 3.1 20.5 1.0 P A:PO4103 3.1 21.8 0.3 P A:PO4104 3.3 17.7 0.3 O4 A:PO4103 3.4 22.1 0.3 O3 A:PO4104 3.8 16.5 0.3 O3 A:PO4103 4.0 22.0 0.3 ND1 A:HIS46 4.2 21.7 1.0 CG A:HIS46 4.2 20.2 1.0 O1 A:PO4103 4.3 21.9 0.3 O2 A:PO4104 4.3 18.0 0.3 O4 A:PO4104 4.3 18.4 0.3 H92 A:EVB101 4.8 60.5 0.0 NE2 A:HIS47 4.9 20.3 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