Zinc in PDB 6r3u: Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose

The structure of Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose, PDB code: 6r3u 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)	47.21 / 1.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	78.114, 112.334, 174.135, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19

The binding sites of Zinc atom in the Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose (pdb code 6r3u). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose, PDB code: 6r3u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:42.9 occ:1.00 NE2 A:HIS503 1.8 63.6 1.0 NE2 A:HIS26 1.9 32.2 1.0 NE2 A:HIS384 2.1 41.3 1.0 CE1 A:HIS26 2.6 54.1 1.0 HE1 A:HIS26 2.6 65.0 1.0 CD2 A:HIS503 2.7 64.0 1.0 CE1 A:HIS503 2.8 73.0 1.0 HD2 A:HIS503 2.9 76.8 1.0 CD2 A:HIS384 2.9 41.1 1.0 HD2 A:HIS384 3.0 49.4 1.0 HE1 A:HIS503 3.1 87.6 1.0 CD2 A:HIS26 3.1 80.4 1.0 CE1 A:HIS384 3.1 47.9 1.0 HE1 A:HIS384 3.4 57.5 1.0 HD2 A:HIS26 3.5 96.5 1.0 HD2 A:TYR502 3.6 0.4 1.0 HE2 A:TYR502 3.8 0.9 1.0 CG A:HIS503 3.8 63.3 1.0 ND1 A:HIS26 3.8 53.8 1.0 ND1 A:HIS503 3.8 62.3 1.0 CD2 A:TYR502 3.9 0.2 1.0 CE2 A:TYR502 4.0 99.1 1.0 HG12 A:VAL383 4.0 44.4 1.0 CG A:HIS26 4.1 35.7 1.0 HG11 A:VAL383 4.1 44.4 1.0 HB A:VAL383 4.1 51.6 1.0 CG A:HIS384 4.1 44.5 1.0 ND1 A:HIS384 4.2 41.4 1.0 CG1 A:VAL383 4.5 37.0 1.0 HD1 A:HIS26 4.5 64.6 1.0 HB3 A:TYR502 4.7 0.9 1.0 CB A:VAL383 4.8 43.0 1.0 CG A:TYR502 4.8 61.5 1.0 HG21 A:VAL383 4.8 68.7 1.0 O A:GLY27 4.8 43.7 1.0 CZ A:TYR502 4.9 60.1 1.0 HD1 A:HIS384 5.0 49.7 1.0

Zinc binding site 2 out of 2 in the Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Endo-Levanase BT1760 Mutant E221A From Bacteroides Thetaiotaomicron Complexed with Levantetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:63.7 occ:1.00 ND1 A:HIS503 1.8 62.3 1.0 CE1 A:HIS503 2.4 73.0 1.0 HE1 A:HIS503 2.5 87.6 1.0 CG A:HIS503 2.9 63.3 1.0 HB3 A:HIS503 3.4 76.0 1.0 HA A:HIS503 3.4 74.8 1.0 NE2 A:HIS503 3.5 63.6 1.0 CB A:HIS503 3.6 63.3 1.0 CD2 A:HIS503 3.8 64.0 1.0 HE2 A:TYR502 3.9 0.9 1.0 CA A:HIS503 4.0 62.4 1.0 HD2 A:TYR502 4.2 0.4 1.0 HB2 A:HIS505 4.3 92.0 1.0 H A:HIS504 4.5 0.9 1.0 HB2 A:HIS503 4.5 76.0 1.0 HD2 A:HIS503 4.6 76.8 1.0 CE2 A:TYR502 4.6 99.1 1.0 CD2 A:TYR502 4.8 0.2 1.0 N A:HIS503 4.9 62.4 1.0 HE1 A:HIS26 4.9 65.0 1.0 ND1 A:HIS505 4.9 58.1 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