Cadmium in PDB 7c82: Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase

The structure of Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase, PDB code: 7c82 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)	48.46 / 1.18
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.783, 79.783, 61.010, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.5

The binding sites of Cadmium atom in the Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase (pdb code 7c82). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase, PDB code: 7c82:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:12.3 occ:0.85 OG A:SER0 2.4 17.1 1.0 N A:SER0 2.4 12.9 1.0 CB A:SER0 3.1 16.7 1.0 CA A:SER0 3.2 14.1 1.0 O A:HOH318 4.1 19.9 1.0 O A:HOH346 4.4 31.5 1.0 C A:SER0 4.5 12.7 1.0 ND2 A:ASN40 4.5 14.8 1.0 O A:HOH472 4.7 23.2 1.0 O A:SER0 4.7 13.2 1.0

Cadmium binding site 2 out of 3 in the Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:14.5 occ:0.59 OXT A:ACT205 2.1 32.3 1.0 OXT A:ACT206 2.1 36.2 1.0 ND1 A:HIS163 2.2 27.1 1.0 NE2 A:HIS165 2.2 24.4 1.0 O A:ACT206 2.5 34.3 1.0 C A:ACT206 2.7 35.5 1.0 C A:ACT205 2.8 33.5 1.0 O A:ACT205 2.9 32.0 1.0 CE1 A:HIS163 3.0 40.8 1.0 CE1 A:HIS165 3.0 28.9 1.0 CG A:HIS163 3.3 23.7 1.0 CD2 A:HIS165 3.3 24.7 1.0 O A:HOH301 3.5 36.0 1.0 CB A:HIS163 3.7 23.0 1.0 CH3 A:ACT206 4.2 33.6 1.0 ND1 A:HIS165 4.2 34.1 1.0 NE2 A:HIS163 4.2 69.8 1.0 CH3 A:ACT205 4.3 28.3 1.0 CG A:HIS165 4.4 27.4 1.0 CD2 A:HIS163 4.4 38.7 1.0 CA A:HIS163 4.6 21.9 1.0

Cadmium binding site 3 out of 3 in the Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd204 b:18.9 occ:0.45 ND1 A:HIS37 2.4 15.6 1.0 CE1 A:HIS37 3.3 15.8 1.0 CG A:HIS37 3.5 13.7 1.0 CB A:HIS37 3.8 13.5 1.0 CA A:HIS37 4.4 12.7 1.0 NE2 A:HIS37 4.5 16.8 1.0 CD2 A:HIS37 4.6 15.7 1.0 O A:HIS37 4.9 14.6 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