Cadmium in PDB 4e57: Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant

All present enzymatic activity of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant:
3.5.1.93;

The structure of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant, PDB code: 4e57 was solved by J.Yin, Z.Zhang, G.Wu, X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.28 / 2.00
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	73.599, 73.599, 383.834, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Cadmium atom in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant (pdb code 4e57). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 33 binding sites of Cadmium where determined in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant, PDB code: 4e57:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


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 Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd701 b:83.7 occ:1.00 OD2 A:ASP662 2.5 29.2 1.0 OD1 A:ASP662 2.7 27.4 1.0 CG A:ASP662 2.9 27.8 1.0 O A:HOH1469 3.3 39.6 1.0 NH2 A:ARG657 4.2 25.2 1.0 CB A:ASP662 4.4 26.3 1.0 CZ A:ARG657 4.8 25.2 1.0 NH1 A:ARG660 4.9 28.3 1.0

Cadmium binding site 2 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


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 Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd702 b:0.3 occ:1.00 OD1 A:ASP325 2.8 31.2 1.0 OD2 A:ASP325 2.9 32.2 1.0 CG A:ASP325 3.2 31.2 1.0 O A:HOH1358 3.6 53.6 1.0 O A:ASP207 4.1 28.6 1.0 O A:THR323 4.4 24.4 1.0 CB A:ASP325 4.6 30.0 1.0 O A:HOH1454 4.7 30.5 1.0 O A:HOH1055 4.9 46.0 1.0

Cadmium binding site 3 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


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 Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd703 b:98.7 occ:1.00 OG1 A:THR192 2.4 24.3 1.0 OE2 A:GLU161 2.4 42.9 1.0 CD A:GLU161 3.0 42.6 1.0 CB A:THR192 3.2 24.1 1.0 OE1 A:GLU161 3.6 44.5 1.0 CG A:GLU161 3.7 40.8 1.0 N A:THR193 4.1 22.6 1.0 O A:HOH963 4.2 26.1 1.0 C A:THR192 4.2 23.1 1.0 CG2 A:THR192 4.3 24.0 1.0 CA A:THR192 4.3 22.9 1.0 OG1 A:THR193 4.3 23.2 1.0 OG A:SER190 4.5 21.2 1.0 O A:HOH1229 4.6 43.7 1.0 CA A:THR193 4.7 22.6 1.0 O A:THR192 4.8 23.7 1.0 N A:THR192 5.0 21.9 1.0

Cadmium binding site 4 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd704 b:0.8 occ:1.00 OD2 A:ASP506 2.8 30.9 1.0 OD1 A:ASP506 3.0 29.5 1.0 CG A:ASP506 3.3 30.0 1.0 OG1 A:THR504 4.1 25.3 1.0 O A:HOH1366 4.2 47.4 1.0 OD2 A:ASP500 4.3 25.7 1.0 O A:HOH1019 4.5 24.8 1.0 CB A:THR504 4.6 24.6 1.0 CG2 A:THR504 4.6 24.9 1.0 O A:HOH1088 4.7 32.3 1.0 CB A:ASP506 4.8 29.0 1.0

Cadmium binding site 5 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd705 b:0.5 occ:1.00 OD1 A:ASP74 2.7 36.8 1.0 OD2 A:ASP74 3.0 36.7 1.0 CG A:ASP74 3.2 36.5 1.0 O A:HOH1089 3.8 42.9 1.0 O A:HOH1367 4.4 45.4 1.0 CB A:ASP74 4.7 34.5 1.0

Cadmium binding site 6 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd706 b:30.6 occ:1.00 O A:HOH1263 2.2 24.5 1.0 O A:HOH977 2.3 21.3 1.0 OD1 A:ASP123 2.3 27.9 1.0 OD2 A:ASP123 2.4 27.2 1.0 CG A:ASP123 2.7 27.3 1.0 OD2 A:ASP122 4.1 28.5 1.0 OD1 A:ASP122 4.2 27.4 1.0 OD1 A:ASN120 4.2 27.1 1.0 CB A:ASP123 4.2 26.5 1.0 OH A:TYR116 4.4 24.9 1.0 O A:HOH1475 4.4 30.7 1.0 CG A:ASP122 4.5 28.0 1.0 CB A:ASN120 4.7 26.1 1.0 O A:HOH1365 4.8 40.2 1.0 CG A:ASN120 4.8 26.4 1.0 O A:HOH1216 4.9 40.1 1.0

Cadmium binding site 7 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd707 b:36.3 occ:1.00 NE2 A:HIS650 2.2 25.6 1.0 OE2 A:GLU679 2.3 32.4 1.0 CE1 A:HIS650 3.2 25.7 1.0 CD2 A:HIS650 3.2 24.9 1.0 CD A:GLU679 3.2 32.5 1.0 OE1 A:GLU679 3.4 32.5 1.0 ND1 A:HIS650 4.4 24.8 1.0 CG A:HIS650 4.4 24.4 1.0 O A:ASP25 4.5 25.5 1.0 OG1 A:THR649 4.5 27.8 1.0 CG A:GLU679 4.6 32.5 1.0 O A:HOH1443 4.6 33.4 1.0 CA A:GLY28 4.7 22.8 1.0 N A:GLY28 4.8 23.7 1.0 O A:HOH1175 4.8 40.4 1.0 NH2 A:ARG50 4.8 31.1 1.0 O A:HOH1322 4.9 39.1 1.0

Cadmium binding site 8 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd708 b:45.8 occ:1.00 NE2 A:HIS465 2.3 23.0 1.0 O A:HOH1471 2.5 28.2 1.0 O A:HOH1472 2.6 29.9 1.0 CD2 A:HIS465 3.2 22.6 1.0 CE1 A:HIS465 3.4 22.8 1.0 O A:HOH1473 3.7 29.0 1.0 O A:HOH1468 4.0 22.5 1.0 CG A:HIS465 4.5 22.2 1.0 ND1 A:HIS465 4.5 22.4 1.0 O A:HOH1474 4.5 37.6 1.0 CG2 A:THR504 4.6 24.9 1.0 O A:HOH1002 4.6 20.5 1.0

Cadmium binding site 9 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd709 b:52.8 occ:0.50 OD1 A:ASP555 2.5 35.7 1.0 OD2 A:ASP555 2.6 36.2 1.0 CG A:ASP555 2.9 35.1 1.0 O A:HOH1480 4.2 28.6 1.0 NH2 A:ARG558 4.3 32.7 1.0 CB A:ASP555 4.4 33.3 1.0 NE A:ARG558 4.6 32.9 1.0 O A:HOH1194 4.7 44.8 1.0 CZ A:ARG558 4.8 32.8 1.0 O A:HOH1303 4.9 43.5 1.0

Cadmium binding site 10 out of 33 in the Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Crystal Structure of Spacer 6AA-Shortened Cephalosporin Acylase Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd710 b:51.2 occ:0.50 OD2 A:ASP577 2.5 29.9 1.0 OD1 A:ASP577 2.8 29.2 1.0 CG A:ASP577 3.0 29.1 1.0 NH2 A:ARG573 4.1 28.6 1.0 O A:HOH1233 4.1 42.5 1.0 O A:HOH1041 4.2 31.8 1.0 CB A:ASP577 4.6 27.6 1.0 O A:HOH1112 4.6 39.9 1.0 CZ A:ARG573 4.7 28.8 1.0 NE A:ARG573 4.8 28.4 1.0 O A:ASP577 4.9 26.8 1.0 O A:HOH1210 5.0 43.6 1.0

J.Yin, Z.Zhang, G.Wu, X.Huang. Spacer Shortened Cephalosporin Acylase To Be Published.