Atomistry » Chlorine » PDB 4lb8-4lht » 4lc8
Atomistry »
  Chlorine »
    PDB 4lb8-4lht »
      4lc8 »

Chlorine in PDB 4lc8: Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp

Enzymatic activity of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp

All present enzymatic activity of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp:
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp, PDB code: 4lc8 was solved by A.A.Fedorov, E.V.Fedorov, B.Desai, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.55 / 1.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.958, 63.703, 61.740, 90.00, 115.30, 90.00
R / Rfree (%) 16.1 / 17.8

Other elements in 4lc8:

The structure of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp (pdb code 4lc8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp, PDB code: 4lc8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4lc8

Go back to Chlorine Binding Sites List in 4lc8
Chlorine binding site 1 out of 5 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:16.8
occ:1.00
 O A:HOH509 3.1 31.1 1.0
N A:ASP104 3.4 7.8 1.0
O B:HOH546 3.4 31.1 1.0
CA B:GLY130 3.5 7.8 1.0
CB A:ASP104 3.7 7.8 1.0
CG A:ASP104 3.8 7.3 1.0
N B:GLY130 3.9 7.7 1.0
CB A:ALA103 3.9 8.1 1.0
N A:ALA103 4.0 6.4 1.0
OD1 A:ASP104 4.0 7.2 1.0
CA A:ASP104 4.1 8.3 1.0
OD2 A:ASP104 4.2 7.7 1.0
C A:ALA103 4.2 8.7 1.0
CA A:ALA103 4.2 7.5 1.0
SD B:MET133 4.2 12.8 1.0
C B:PRO129 4.5 9.0 1.0
O A:HOH587 4.7 28.9 1.0
O B:PRO129 4.7 9.2 1.0
CG B:MET133 4.8 11.1 1.0
C B:GLY130 4.8 6.9 1.0
C A:GLY102 4.9 6.7 1.0
CB B:PRO129 4.9 10.3 1.0

Chlorine binding site 2 out of 5 in 4lc8

Go back to Chlorine Binding Sites List in 4lc8
Chlorine binding site 2 out of 5 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:24.2
occ:1.00
 N A:GLU162 3.4 12.0 1.0
CB A:ARG160 3.4 12.3 1.0
C A:ARG160 3.4 10.7 1.0
CA A:ARG160 3.4 10.6 1.0
CB A:GLU162 3.6 13.1 1.0
N A:PRO161 3.7 12.0 1.0
O A:ARG160 3.8 10.5 1.0
N A:ARG163 3.9 8.6 0.7
N A:ARG163 3.9 9.9 0.3
CA A:GLU162 3.9 9.8 1.0
CG A:ARG163 3.9 12.4 0.3
CG A:GLU162 4.0 17.9 1.0
CD A:PRO161 4.1 12.3 1.0
CG A:ARG160 4.1 16.4 1.0
CG A:ARG163 4.3 10.6 0.7
C A:PRO161 4.3 12.1 1.0
C A:GLU162 4.4 10.0 1.0
CA A:PRO161 4.5 11.6 1.0
CD A:ARG160 4.6 21.0 1.0
CB A:ARG163 4.7 8.3 0.3
CD A:ARG163 4.7 11.3 0.3
CB A:ARG163 4.7 8.3 0.7
N A:ARG160 4.8 9.9 1.0
CA A:ARG163 4.9 9.3 0.7
CA A:ARG163 4.9 9.5 0.3

Chlorine binding site 3 out of 5 in 4lc8

Go back to Chlorine Binding Sites List in 4lc8
Chlorine binding site 3 out of 5 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:15.8
occ:1.00
 O B:HOH453 3.0 18.0 1.0
O A:HOH585 3.1 29.6 1.0
N A:GLU78 3.3 8.4 1.0
CD A:PRO77 3.6 7.4 1.0
CB A:GLU78 3.7 11.0 1.0
CB A:PRO77 3.7 7.9 1.0
N A:PRO77 3.7 7.3 1.0
CD1 A:ILE76 3.8 8.6 1.0
CG A:PRO77 3.9 8.0 1.0
CG1 A:ILE76 4.0 8.4 1.0
CB A:ILE76 4.0 7.5 1.0
CA A:PRO77 4.1 7.5 1.0
CA A:GLU78 4.1 8.9 1.0
C A:PRO77 4.1 7.9 1.0
C A:ILE76 4.4 7.0 1.0
O B:HOH651 4.4 24.9 1.0
O A:HOH577 4.5 25.4 1.0
O B:HOH622 4.5 33.5 1.0
O A:HOH630 4.8 49.1 1.0
CA A:ILE76 4.8 6.9 1.0
NH2 B:ARG203 4.9 9.9 1.0
OE1 A:GLU78 4.9 27.4 1.0

Chlorine binding site 4 out of 5 in 4lc8

Go back to Chlorine Binding Sites List in 4lc8
Chlorine binding site 4 out of 5 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:20.4
occ:1.00
 NH2 B:ARG107 3.2 28.7 1.0
O A:HOH623 3.3 38.2 1.0
N B:ASP104 3.3 10.5 1.0
CA A:GLY130 3.5 11.3 1.0
CB B:ASP104 3.7 11.2 1.0
CG B:ASP104 3.7 9.8 1.0
N A:GLY130 3.9 10.8 1.0
CB B:ALA103 3.9 10.8 1.0
OD1 B:ASP104 3.9 9.6 1.0
N B:ALA103 4.0 9.7 1.0
CA B:ASP104 4.1 11.0 1.0
C B:ALA103 4.2 9.2 1.0
CA B:ALA103 4.2 9.5 1.0
OD2 B:ASP104 4.2 9.9 1.0
SD A:MET133 4.2 16.8 1.0
CZ B:ARG107 4.3 34.9 1.0
C A:PRO129 4.5 12.3 1.0
CG A:MET133 4.8 16.3 1.0
O A:PRO129 4.8 13.6 1.0
C A:GLY130 4.8 9.6 1.0
C B:GLY102 4.9 10.0 1.0
NH1 B:ARG107 4.9 36.4 1.0
O B:HOH584 5.0 30.0 1.0
CB A:PRO129 5.0 13.3 1.0

Chlorine binding site 5 out of 5 in 4lc8

Go back to Chlorine Binding Sites List in 4lc8
Chlorine binding site 5 out of 5 in the Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:20.1
occ:1.00
 O A:HOH472 2.5 23.5 1.0
O A:HOH651 3.0 19.7 1.0
O B:HOH664 3.1 31.7 1.0
N B:GLU78 3.2 10.1 1.0
CD B:PRO77 3.5 10.2 1.0
CB B:GLU78 3.6 11.2 1.0
CB B:PRO77 3.7 9.9 1.0
N B:PRO77 3.7 8.7 1.0
CD1 B:ILE76 3.8 10.8 1.0
CG B:PRO77 4.0 9.4 1.0
CA B:GLU78 4.0 10.7 1.0
CG1 B:ILE76 4.0 8.8 1.0
CA B:PRO77 4.0 9.2 1.0
C B:PRO77 4.1 9.7 1.0
O B:HOH592 4.1 28.7 1.0
CB B:ILE76 4.1 9.3 1.0
C B:ILE76 4.4 8.2 1.0
O A:HOH441 4.6 17.4 1.0
CA B:ILE76 4.8 7.8 1.0
CG B:GLU78 4.9 24.8 1.0

Reference:

A.A.Fedorov, E.V.Fedorov, B.Desai, J.A.Gerlt, S.C.Almo. Crystal Structure of the Mutant H128N of Orotidine 5'-Monophosphate Decarboxylase From Methanobacterium Thermoautotrophicum Complexed with the Inhibitor Bmp To Be Published.
Page generated: Sun Jul 21 18:51:11 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy