Cadmium in PDB 7c84: Esterase ALINE4 Mutant, D162A

The structure of Esterase ALINE4 Mutant, D162A, PDB code: 7c84 was solved by Z.Li, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.42 / 1.55
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.810, 79.810, 60.920, 90.00, 90.00, 90.00
R / Rfree (%)	11.4 / 15.4

The binding sites of Cadmium atom in the Esterase ALINE4 Mutant, D162A (pdb code 7c84). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Esterase ALINE4 Mutant, D162A, PDB code: 7c84:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Esterase ALINE4 Mutant, D162A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Esterase ALINE4 Mutant, D162A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:13.1 occ:0.91 OE2 A:GLU91 2.2 13.8 1.0 OE1 A:GLU91 2.5 15.4 1.0 CD A:GLU91 2.7 12.7 1.0 CG A:GLU91 4.2 11.8 1.0 O A:HOH343 4.7 13.0 1.0

Cadmium binding site 2 out of 4 in the Esterase ALINE4 Mutant, D162A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Esterase ALINE4 Mutant, D162A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:13.9 occ:0.77 O A:HOH441 2.2 20.4 1.0 O A:HOH450 2.3 20.8 1.0 O1 A:GOL207 2.3 19.7 1.0 O A:HOH391 2.4 18.1 1.0 OE2 A:GLU31 2.4 17.3 1.0 O2 A:GOL207 2.4 18.7 1.0 OE1 A:GLU31 2.5 14.3 1.0 CD A:GLU31 2.8 15.7 1.0 C1 A:GOL207 3.3 21.1 1.0 C2 A:GOL207 3.4 18.8 1.0 C3 A:GOL207 4.1 20.0 1.0 O A:HOH389 4.1 17.7 1.0 O A:HOH342 4.2 18.9 1.0 O A:HOH417 4.3 21.8 1.0 CG A:GLU31 4.3 12.6 1.0 O A:HOH314 4.5 40.9 1.0 O A:HOH392 4.6 44.7 1.0 O A:ILE43 4.7 15.1 1.0 N A:ILE43 4.7 10.3 1.0 O3 A:GOL207 4.8 19.7 1.0 O A:HOH363 4.8 25.8 1.0 CB A:GLU31 4.9 12.2 1.0 CA A:ARG42 4.9 10.4 1.0

Cadmium binding site 3 out of 4 in the Esterase ALINE4 Mutant, D162A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Esterase ALINE4 Mutant, D162A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:20.4 occ:0.79 CD2 A:HIS163 2.2 28.8 1.0 NE2 A:HIS165 2.3 22.7 1.0 CE1 A:HIS165 3.2 25.2 1.0 CG A:HIS163 3.2 29.7 1.0 NE2 A:HIS163 3.3 39.4 1.0 CD2 A:HIS165 3.3 25.2 1.0 CB A:HIS163 3.7 27.4 1.0 ND1 A:HIS165 4.3 28.3 1.0 ND1 A:HIS163 4.4 44.6 1.0 CG A:HIS165 4.4 21.5 1.0 CE1 A:HIS163 4.4 54.7 1.0 CA A:HIS163 4.6 21.0 1.0

Cadmium binding site 4 out of 4 in the Esterase ALINE4 Mutant, D162A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Esterase ALINE4 Mutant, D162A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd204 b:17.4 occ:0.52 O A:HOH413 2.1 55.3 1.0 OXT A:ACT206 2.1 26.2 0.7 OD1 A:ASN180 2.5 18.8 1.0 O A:HOH375 2.7 30.4 1.0 C A:ACT206 3.1 32.2 0.7 CG A:ASN180 3.3 15.5 1.0 O A:ACT206 3.4 34.3 0.7 ND2 A:ASN180 3.8 18.2 1.0 CB A:ASN180 4.3 10.5 1.0 CH3 A:ACT206 4.5 29.4 0.7 CA A:ASN180 4.8 9.8 1.0

Z.Li, L.Li, Y.Huo, Z.Chen, Y.Zhao, J.Huang, S.Jian, Z.Rong, D.Wu, J.Gan, X.Hu, J.Li, X.W.Xu. Structure-Guided Protein Engineering Increases Enzymatic Activities of the Sgnh Family Esterases. Biotechnol Biofuels V. 13 107 2020.
ISSN: ESSN 1754-6834
PubMed: 32549911
DOI: 10.1186/S13068-020-01742-8