Bismuth in PDB 9ppr: Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2

The structure of Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2, PDB code: 9ppr was solved by V.H.Eng, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.84 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.75, 70.86, 75.48, 90, 90, 90
R / Rfree (%)	18.5 / 22.5

The structure of Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Zinc	(Zn)	2 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Bismuth atom in the Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2 (pdb code 9ppr). This binding sites where shown within 5.0 Angstroms radius around Bismuth atom.
In total 2 binding sites of Bismuth where determined in the Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2, PDB code: 9ppr:
Jump to Bismuth binding site number: 1; 2;

Bismuth binding site 1 out of 2 in the Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2


Mono view


Stereo pair view

A full contact list of Bismuth with other atoms in the Bi binding site number 1 of Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Bi201 b:48.9 occ:0.49 BI B:BS3201 0.0 48.9 0.5 SG A:CYS77 2.5 44.3 1.0 SG B:CYS77 2.7 43.6 1.0 CL A:CL205 2.8 48.3 1.0 O B:HOH399 3.2 42.9 1.0 CB B:CYS77 3.3 29.4 1.0 CB A:CYS77 3.3 36.5 1.0 BI B:BS3201 3.5 44.8 0.5 O B:HOH408 3.9 32.1 1.0 CA A:CYS77 3.9 42.8 1.0 O C:HOH388 4.0 47.2 1.0 O A:HOH314 4.0 42.9 1.0 ZN A:ZN202 4.2 24.5 0.7 CA B:CYS77 4.2 24.8 1.0 OE2 A:GLU81 4.5 56.1 1.0 OE2 B:GLU81 4.6 59.0 1.0 NE2 B:HIS73 4.7 29.1 1.0 CE1 B:HIS73 4.8 30.0 1.0 O A:HOH362 4.9 41.8 1.0 C A:CYS77 4.9 39.6 1.0 C B:CYS77 4.9 31.1 1.0 N A:CYS77 4.9 35.6 1.0 O A:CYS77 5.0 42.5 1.0 O B:CYS77 5.0 33.1 1.0

Bismuth binding site 2 out of 2 in the Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2


Mono view


Stereo pair view

A full contact list of Bismuth with other atoms in the Bi binding site number 2 of Zn- and Bi-Bound Structure of the H77C Variant of TRICYT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Bi201 b:44.8 occ:0.51 BI B:BS3201 0.0 44.8 0.5 O B:HOH408 2.5 32.1 1.0 CL A:CL205 2.6 48.3 1.0 SG C:CYS77 2.8 30.4 0.7 O B:HOH399 2.9 42.9 1.0 SG C:CYS77 2.9 30.8 0.3 O C:HOH388 3.2 47.2 1.0 ND2 B:ASN80 3.4 35.2 1.0 BI B:BS3201 3.5 48.9 0.5 CB C:CYS77 3.7 29.6 0.3 CB C:CYS77 3.7 29.6 0.7 ZN A:ZN202 3.8 24.5 0.7 CB B:ASN80 4.2 31.3 1.0 CG B:ASN80 4.3 35.3 1.0 CA C:CYS77 4.5 27.7 0.3 CA C:CYS77 4.5 27.6 0.7 NE2 C:HIS73 4.6 22.6 1.0 CA B:CYS77 4.6 24.8 1.0 CE1 C:HIS73 4.7 20.0 1.0 CB B:CYS77 4.9 29.4 1.0

V.H.Eng, M.Gascon, A.Kakkis, F.A.Tezcan. Design of A Protein Scaffold with A Selective, Bi-Containing Heterodinuclear Metal Coordination Motif. J.Inorg.Biochem. V. 274 13104 2025.
ISSN: ISSN 0162-0134
PubMed: 41072111
DOI: 10.1016/J.JINORGBIO.2025.113104