Cadmium in PDB 7c2a: Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase

The structure of Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase, PDB code: 7c2a 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 (%)	17.6 / 18.3

The binding sites of Cadmium atom in the Crystal Structure of ALINE4, A Sgnh-Hydrolase Family Esterase (pdb code 7c2a). 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: 7c2a:
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:Cd201 b:11.5 occ:0.79 N A:SER0 2.5 12.7 1.0 OG A:SER0 2.5 15.3 1.0 CB A:SER0 3.1 16.5 1.0 CA A:SER0 3.2 13.8 1.0 O A:HOH314 4.1 17.6 1.0 O A:HOH401 4.2 31.9 1.0 C A:SER0 4.5 12.8 1.0 ND2 A:ASN40 4.5 14.3 1.0 O A:SER0 4.7 12.7 1.0 O A:HOH471 4.8 21.3 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:Cd202 b:14.5 occ:0.61 ND1 A:HIS163 2.2 31.4 1.0 NE2 A:HIS165 2.4 29.1 1.0 OXT A:ACT204 2.7 32.4 1.0 O A:ACT205 2.7 38.2 1.0 OXT A:ACT205 2.7 35.3 1.0 O A:HOH307 2.7 33.2 1.0 O A:ACT204 2.8 33.7 1.0 C A:ACT205 3.0 36.8 1.0 CE1 A:HIS163 3.0 36.8 1.0 C A:ACT204 3.0 32.3 1.0 CE1 A:HIS165 3.3 33.2 1.0 CG A:HIS163 3.3 32.9 1.0 CD2 A:HIS165 3.4 26.8 1.0 CB A:HIS163 3.7 31.1 1.0 O A:HOH301 3.9 46.3 1.0 NE2 A:HIS163 4.2 41.4 1.0 CD2 A:HIS163 4.4 38.2 1.0 ND1 A:HIS165 4.4 35.0 1.0 CG A:HIS165 4.5 30.6 1.0 CA A:HIS163 4.5 26.0 1.0 CH3 A:ACT205 4.5 32.4 1.0 CH3 A:ACT204 4.6 24.1 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:Cd203 b:18.1 occ:0.41 ND1 A:HIS37 2.6 15.9 1.0 CE1 A:HIS37 3.5 14.2 1.0 CG A:HIS37 3.6 13.1 1.0 CB A:HIS37 3.8 13.3 1.0 CA A:HIS37 4.5 13.0 1.0 NE2 A:HIS37 4.6 14.8 1.0 CD2 A:HIS37 4.7 15.2 1.0 O A:HIS37 4.9 14.5 1.0

Z.Li, J.Li. C-Terminal Swapped Dimers Revealed A New Catalytic Mechanism of Sgnh-Hydrolase Family Esterases To Be Published.