Cadmium in PDB 7c2d: Esterase ALINE4 Mutant-S13A

The structure of Esterase ALINE4 Mutant-S13A, PDB code: 7c2d 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)	39.90 / 1.75
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.810, 79.810, 60.820, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.5

The binding sites of Cadmium atom in the Esterase ALINE4 Mutant-S13A (pdb code 7c2d). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 6 binding sites of Cadmium where determined in the Esterase ALINE4 Mutant-S13A, PDB code: 7c2d:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6;

Cadmium binding site 1 out of 6 in the Esterase ALINE4 Mutant-S13A


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-S13A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:12.3 occ:0.89 OE2 A:GLU91 2.3 14.2 1.0 OE1 A:GLU91 2.8 13.3 1.0 CD A:GLU91 2.9 15.9 1.0 O A:HOH408 4.2 38.4 1.0 CG A:GLU91 4.4 11.6 1.0

Cadmium binding site 2 out of 6 in the Esterase ALINE4 Mutant-S13A


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-S13A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:24.2 occ:0.50 OE2 A:GLU172 2.5 16.9 1.0 O A:HOH431 2.6 30.3 1.0 OE1 A:GLU172 2.6 20.2 1.0 CD A:GLU172 2.9 17.6 1.0 O A:HOH415 3.7 40.9 1.0 NH1 A:ARG169 4.4 31.7 1.0 CG A:GLU172 4.4 8.1 1.0

Cadmium binding site 3 out of 6 in the Esterase ALINE4 Mutant-S13A


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-S13A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:16.4 occ:0.61 OE2 A:GLU31 2.5 20.1 1.0 OE1 A:GLU31 2.5 14.4 1.0 O A:HOH423 2.6 23.6 1.0 O A:HOH379 2.6 23.9 1.0 O A:HOH422 2.6 33.0 1.0 O A:HOH450 2.7 33.6 1.0 CD A:GLU31 2.8 25.1 1.0 O A:HOH363 4.2 21.7 1.0 O A:HOH381 4.3 21.9 1.0 CG A:GLU31 4.3 17.1 1.0 N A:ILE43 4.7 10.4 1.0 O A:ILE43 4.8 12.5 1.0 CG A:ARG42 4.9 15.2 1.0 CA A:ARG42 4.9 10.2 1.0 CB A:GLU31 5.0 17.6 1.0

Cadmium binding site 4 out of 6 in the Esterase ALINE4 Mutant-S13A


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-S13A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd204 b:13.9 occ:0.50 ND1 A:HIS163 2.7 40.6 1.0 NE2 A:HIS165 2.7 34.3 1.0 CE1 A:HIS165 2.7 32.7 1.0 CE1 A:HIS163 3.6 44.0 1.0 CG A:HIS163 3.6 41.6 1.0 O A:HOH308 3.7 19.2 1.0 CB A:HIS163 3.8 39.8 1.0 ND1 A:HIS165 3.9 39.4 1.0 CD2 A:HIS165 3.9 38.2 1.0 CG A:HIS165 4.5 36.5 1.0 CA A:HIS163 4.6 29.1 1.0 NE2 A:HIS163 4.7 42.9 1.0 CD2 A:HIS163 4.7 38.2 1.0

Cadmium binding site 5 out of 6 in the Esterase ALINE4 Mutant-S13A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Esterase ALINE4 Mutant-S13A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd205 b:21.0 occ:0.58 OD1 A:ASN180 2.6 15.7 1.0 O A:HOH418 2.6 26.8 1.0 CG A:ASN180 3.3 21.0 1.0 ND2 A:ASN180 3.6 14.4 1.0 CB A:ASN180 4.4 9.8 1.0 CA A:ASN180 4.8 9.2 1.0

Cadmium binding site 6 out of 6 in the Esterase ALINE4 Mutant-S13A


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Esterase ALINE4 Mutant-S13A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd206 b:32.5 occ:0.41 OE2 A:GLU24 2.6 16.9 1.0 CD A:GLU24 3.5 15.2 1.0 CG A:GLU24 3.6 16.6 1.0 O A:HOH301 3.7 21.6 1.0 O A:HOH311 4.1 35.4 1.0 NZ A:LYS29 4.5 15.5 1.0 OE1 A:GLU24 4.7 16.9 1.0 O A:HOH434 4.7 40.4 1.0 CB A:GLU24 5.0 12.2 1.0

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