Cadmium in PDB 7c2c: Esterase ALINE4 Mutant, D162A

The structure of Esterase ALINE4 Mutant, D162A, PDB code: 7c2c 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 (%)	16.4 / 18.2

The binding sites of Cadmium atom in the Esterase ALINE4 Mutant, D162A (pdb code 7c2c). 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: 7c2c:
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:11.5 occ:0.87 OE2 A:GLU91 2.4 13.2 1.0 OE1 A:GLU91 2.6 15.4 1.0 CD A:GLU91 2.8 14.6 1.0 CG A:GLU91 4.3 12.0 1.0 O A:HOH332 4.7 12.2 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:12.9 occ:0.76 O A:HOH379 2.5 17.2 1.0 O A:HOH456 2.5 21.6 1.0 OE2 A:GLU31 2.5 16.8 1.0 O1 A:GOL207 2.5 18.6 1.0 O A:HOH457 2.5 20.5 1.0 OE1 A:GLU31 2.5 14.2 1.0 O2 A:GOL207 2.6 18.9 1.0 CD A:GLU31 2.9 15.2 1.0 C1 A:GOL207 3.3 19.6 1.0 C2 A:GOL207 3.4 19.0 1.0 C3 A:GOL207 4.0 16.9 1.0 O A:HOH382 4.1 16.5 1.0 O A:HOH348 4.2 18.4 1.0 O A:HOH428 4.3 20.4 1.0 CG A:GLU31 4.3 12.0 1.0 O A:HOH317 4.6 36.5 1.0 O A:HOH387 4.6 39.6 1.0 N A:ILE43 4.7 10.6 1.0 O A:ILE43 4.8 15.6 1.0 O3 A:GOL207 4.8 19.6 1.0 O A:HOH361 4.9 24.6 1.0 CA A:ARG42 4.9 9.0 1.0 CB A:GLU31 5.0 12.5 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:18.5 occ:0.75 NE2 A:HIS165 2.4 20.6 1.0 CD2 A:HIS163 2.7 38.5 1.0 CE1 A:HIS165 3.3 26.7 1.0 CG A:HIS163 3.4 30.4 1.0 CD2 A:HIS165 3.4 23.6 1.0 CB A:HIS163 3.7 28.7 1.0 NE2 A:HIS163 3.8 41.8 1.0 ND1 A:HIS165 4.5 28.3 1.0 ND1 A:HIS163 4.5 41.0 1.0 CG A:HIS165 4.6 21.4 1.0 CA A:HIS163 4.6 19.1 1.0 CE1 A:HIS163 4.7 39.0 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:16.0 occ:0.49 OXT A:ACT206 2.2 29.2 0.7 OD1 A:ASN180 2.6 18.8 1.0 O A:HOH400 2.7 27.6 1.0 O A:HOH453 2.8 37.9 1.0 C A:ACT206 3.2 28.2 0.7 CG A:ASN180 3.3 18.2 1.0 O A:ACT206 3.4 33.4 0.7 ND2 A:ASN180 3.8 18.0 1.0 CB A:ASN180 4.4 9.8 1.0 CH3 A:ACT206 4.6 25.6 0.7 CA A:ASN180 4.8 9.2 1.0

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