Zinc in PDB 6r3r: First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron

The structure of First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron, PDB code: 6r3r was solved by P.Eek, K.Ernits, T.Lukk, T.Alamae, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.657, 110.607, 171.244, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 17.1

The structure of First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron (pdb code 6r3r). 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 First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron, PDB code: 6r3r:

Zinc binding site 1 out of 1 in the First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of First Crystal Structure of Endo-Levanase BT1760 From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:26.4 occ:1.00 NE2 A:HIS503 2.0 26.2 1.0 NE2 A:HIS26 2.0 28.4 1.0 NE2 A:HIS384 2.1 23.8 1.0 CD2 A:HIS503 3.0 33.7 1.0 CE1 A:HIS26 3.0 37.4 1.0 CE1 A:HIS503 3.0 31.4 1.0 CD2 A:HIS384 3.0 25.0 1.0 CD2 A:HIS26 3.0 31.7 1.0 CE1 A:HIS384 3.1 27.1 1.0 HD2 A:HIS503 3.1 40.5 1.0 HE1 A:HIS26 3.1 44.9 1.0 HD2 A:HIS384 3.2 30.0 1.0 HE1 A:HIS503 3.2 37.6 1.0 HD2 A:HIS26 3.2 38.0 1.0 HE1 A:HIS384 3.3 32.5 1.0 HD2 A:TYR502 3.7 38.2 1.0 HG12 A:VAL383 4.0 34.4 1.0 HG11 A:VAL383 4.0 34.4 1.0 ND1 A:HIS26 4.1 32.1 1.0 ND1 A:HIS503 4.1 30.8 1.0 CG A:HIS503 4.1 28.8 1.0 ND1 A:HIS384 4.1 25.2 1.0 CG A:HIS26 4.2 26.7 1.0 HE2 A:TYR502 4.2 39.4 1.0 CG A:HIS384 4.2 26.4 1.0 HB A:VAL383 4.2 31.3 1.0 O A:GLY27 4.4 25.1 1.0 CG1 A:VAL383 4.4 28.7 1.0 CD2 A:TYR502 4.4 31.9 1.0 CE2 A:TYR502 4.6 32.9 1.0 CB A:VAL383 4.8 26.1 1.0 HD1 A:HIS26 4.9 38.5 1.0 HD1 A:HIS503 4.9 36.9 1.0 HD1 A:HIS384 4.9 30.2 1.0 HB2 A:SER29 5.0 35.8 1.0 HG21 A:VAL383 5.0 41.8 1.0

K.Ernits, P.Eek, T.Lukk, T.Visnapuu, T.Alamae. First Crystal Structure of An Endo-Levanase - the BT1760 From A Human Gut Commensal Bacteroides Thetaiotaomicron. Sci Rep V. 9 8443 2019.
ISSN: ESSN 2045-2322
PubMed: 31186460
DOI: 10.1038/S41598-019-44785-0