Manganese in PDB 2zad: Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8

All present enzymatic activity of Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8:
5.5.1.1;

The structure of Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8, PDB code: 2zad was solved by B.Padmanabhan, Y.Bessho, S.Yokoyama, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 4
Cell size a, b, c (Å), α, β, γ (°)	112.770, 112.770, 122.526, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.1

The binding sites of Manganese atom in the Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8 (pdb code 2zad). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8, PDB code: 2zad:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn346 b:15.1 occ:1.00 OD2 A:ASP241 2.1 17.7 1.0 O A:HOH523 2.2 19.1 1.0 O A:HOH642 2.3 16.6 1.0 OD2 A:ASP188 2.4 21.4 1.0 OE1 A:GLU216 2.5 20.8 1.0 CG A:ASP241 3.1 15.9 1.0 CG A:ASP188 3.2 18.8 1.0 OD1 A:ASP188 3.4 17.8 1.0 CD A:GLU216 3.5 18.5 1.0 CB A:ASP241 3.6 15.9 1.0 NZ A:LYS159 3.9 15.9 0.5 ND2 A:ASN263 3.9 16.8 1.0 O A:HOH541 3.9 34.7 1.0 OE2 A:GLU216 3.9 20.8 1.0 OD1 A:ASN190 3.9 23.3 1.0 OD1 A:ASP241 4.2 16.6 1.0 NZ A:LYS265 4.2 18.8 1.0 OE1 A:GLU242 4.4 18.1 1.0 CB A:GLU216 4.4 16.2 1.0 NZ A:LYS161 4.5 25.2 1.0 CB A:ASP188 4.5 16.5 1.0 CE A:LYS265 4.6 17.2 1.0 CG A:GLU216 4.6 17.9 1.0 CE A:LYS159 4.7 14.4 0.5 CG A:ASN190 4.8 20.3 1.0 O A:HOH360 5.0 18.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn346 b:17.0 occ:1.00 OD2 B:ASP241 2.1 17.8 1.0 O B:HOH765 2.2 19.8 1.0 O B:HOH766 2.3 16.3 1.0 OD2 B:ASP188 2.3 23.1 1.0 OE1 B:GLU216 2.5 23.5 1.0 CG B:ASP188 3.1 19.1 1.0 CG B:ASP241 3.2 16.1 1.0 OD1 B:ASP188 3.4 18.6 1.0 CD B:GLU216 3.4 19.0 1.0 CB B:ASP241 3.7 14.7 1.0 NZ B:LYS159 3.8 17.7 0.5 ND2 B:ASN190 3.9 23.0 1.0 OE2 B:GLU216 3.9 20.8 1.0 ND2 B:ASN263 4.0 17.2 1.0 O B:HOH515 4.0 28.2 1.0 OD1 B:ASP241 4.3 15.4 1.0 NZ B:LYS265 4.3 16.9 1.0 CB B:ASP188 4.4 16.4 1.0 CB B:GLU216 4.4 15.2 1.0 NZ B:LYS161 4.4 27.6 1.0 OE1 B:GLU242 4.5 18.9 1.0 CG B:GLU216 4.5 17.0 1.0 CE B:LYS265 4.6 16.2 1.0 CE B:LYS159 4.7 16.8 0.5 CG B:ASN190 4.8 20.4 1.0 O B:HOH504 5.0 24.8 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn346 b:16.9 occ:1.00 OD2 C:ASP241 2.1 17.4 1.0 O C:HOH669 2.3 17.3 1.0 O C:HOH668 2.3 21.2 1.0 OD2 C:ASP188 2.4 22.5 1.0 OE1 C:GLU216 2.6 22.9 1.0 CG C:ASP241 3.1 15.9 1.0 CG C:ASP188 3.2 19.5 1.0 OD1 C:ASP188 3.4 18.7 1.0 CD C:GLU216 3.5 19.0 1.0 CB C:ASP241 3.6 14.7 1.0 NZ C:LYS159 3.8 18.9 0.5 ND2 C:ASN190 3.9 22.5 1.0 ND2 C:ASN263 3.9 17.3 1.0 OE2 C:GLU216 3.9 20.8 1.0 O C:HOH412 4.0 32.1 1.0 OD1 C:ASP241 4.2 15.3 1.0 NZ C:LYS265 4.4 17.2 1.0 OE1 C:GLU242 4.4 18.2 1.0 CB C:GLU216 4.4 15.7 1.0 NZ C:LYS161 4.5 27.2 1.0 CB C:ASP188 4.5 16.6 1.0 CE C:LYS265 4.6 16.2 1.0 CG C:GLU216 4.6 17.9 1.0 CE C:LYS159 4.8 17.7 0.5 CG C:ASN190 4.8 21.2 1.0 O C:HOH425 5.0 27.2 1.0 OE2 C:GLU242 5.0 25.0 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn346 b:15.6 occ:1.00 OD2 D:ASP241 2.2 18.4 1.0 O D:HOH907 2.2 17.8 1.0 O D:HOH795 2.3 19.2 1.0 OD2 D:ASP188 2.3 21.1 1.0 OE1 D:GLU216 2.5 20.3 1.0 CG D:ASP188 3.1 19.0 1.0 CG D:ASP241 3.2 16.6 1.0 OD1 D:ASP188 3.4 17.2 1.0 CD D:GLU216 3.4 18.1 1.0 CB D:ASP241 3.6 16.0 1.0 NZ D:LYS159 3.8 16.5 0.5 OE2 D:GLU216 3.9 21.0 1.0 ND2 D:ASN190 3.9 22.0 1.0 ND2 D:ASN263 3.9 18.4 1.0 O D:HOH744 4.0 32.9 1.0 NZ D:LYS265 4.2 20.0 1.0 OD1 D:ASP241 4.3 15.9 1.0 CB D:GLU216 4.4 16.7 1.0 OE1 D:GLU242 4.4 19.0 1.0 CB D:ASP188 4.4 16.2 1.0 NZ D:LYS161 4.5 26.4 1.0 CG D:GLU216 4.6 17.9 1.0 CE D:LYS265 4.6 16.5 1.0 CE D:LYS159 4.7 14.4 0.5 CG D:ASN190 4.8 20.0 1.0

B.Padmanabhan, Y.Bessho, S.Yokoyama. Crystal Structure of Muconate Cycloisomerase From Thermotoga Maritima MSB8 To Be Published.