Atomistry » Chlorine » PDB 3q12-3qcj » 3q80
Atomistry »
  Chlorine »
    PDB 3q12-3qcj »
      3q80 »

Chlorine in PDB 3q80: Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me

Enzymatic activity of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me

All present enzymatic activity of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me:
2.7.7.60;

Protein crystallography data

The structure of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me, PDB code: 3q80 was solved by M.C.M.Reddy, J.B.Bruning, C.Thurman, T.R.Ioerger, J.C.Sacchettini, Tbstructural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.80 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.581, 92.668, 146.421, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.2

Other elements in 3q80:

The structure of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me (pdb code 3q80). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me, PDB code: 3q80:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3q80

Go back to Chlorine Binding Sites List in 3q80
Chlorine binding site 1 out of 4 in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl233

b:39.2
occ:1.00
 O A:HOH386 2.8 34.2 1.0
O A:HOH404 2.9 28.4 1.0
O A:HOH403 3.1 22.9 1.0
N A:GLY18 3.1 26.4 1.0
C A:GLY16 3.5 31.1 1.0
CA A:GLY16 3.6 27.4 1.0
CA A:GLY18 3.6 28.5 1.0
N A:SER17 3.6 29.4 1.0
CE A:LYS27 3.8 26.1 1.0
CL A:CL234 3.8 59.6 1.0
CB A:LYS27 3.8 29.4 1.0
O A:GLY16 4.1 28.7 1.0
C A:SER17 4.2 32.2 1.0
O A:HOH387 4.2 39.4 1.0
N A:LYS27 4.4 29.3 1.0
NZ A:LYS27 4.5 25.2 1.0
O2A A:CDM500 4.5 28.9 1.0
CA A:SER17 4.5 33.1 1.0
O2' A:CDM500 4.5 27.1 1.0
C2' A:CDM500 4.5 26.0 1.0
N A:GLY16 4.6 26.4 1.0
O A:HOH328 4.6 52.1 1.0
C A:GLY18 4.6 28.2 1.0
CD A:LYS27 4.7 26.8 1.0
CA A:LYS27 4.8 28.7 1.0
CG A:LYS27 4.9 32.2 1.0
N A:GLU19 4.9 22.1 1.0
OG A:SER17 4.9 28.9 1.0
O A:HOH298 5.0 25.5 1.0

Chlorine binding site 2 out of 4 in 3q80

Go back to Chlorine Binding Sites List in 3q80
Chlorine binding site 2 out of 4 in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl234

b:59.6
occ:1.00
 O A:HOH328 2.7 52.1 1.0
N A:ARG20 3.2 29.5 1.0
N A:GLU19 3.4 22.1 1.0
O A:HOH403 3.4 22.9 1.0
OG A:SER17 3.5 28.9 1.0
O A:HOH387 3.6 39.4 1.0
CB A:ARG20 3.7 36.3 1.0
O A:HOH386 3.8 34.2 1.0
CL A:CL233 3.8 39.2 1.0
CB A:GLU19 3.9 25.4 1.0
CA A:GLU19 3.9 25.3 1.0
N A:GLY18 4.0 26.4 1.0
MG A:MG232 4.0 74.6 1.0
CA A:ARG20 4.0 29.8 1.0
C A:GLU19 4.0 31.3 1.0
C A:GLY18 4.1 28.2 1.0
O A:HOH335 4.3 45.9 1.0
CA A:GLY18 4.4 28.5 1.0
O A:HOH399 4.5 42.4 1.0
N A:SER17 4.7 29.4 1.0
O2A A:CDM500 4.8 28.9 1.0
CB A:SER17 4.8 29.5 1.0
C A:SER17 4.9 32.2 1.0
CG A:GLU19 4.9 33.0 1.0

Chlorine binding site 3 out of 4 in 3q80

Go back to Chlorine Binding Sites List in 3q80
Chlorine binding site 3 out of 4 in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl233

b:34.5
occ:1.00
 O B:HOH390 3.0 27.7 1.0
O B:HOH380 3.2 34.2 1.0
N B:GLY18 3.2 28.3 1.0
CA B:GLY16 3.5 29.4 1.0
C B:GLY16 3.6 33.3 1.0
O2' B:CDM501 3.6 25.3 1.0
CE B:LYS27 3.6 26.6 1.0
CA B:GLY18 3.6 31.3 1.0
N B:SER17 3.7 31.3 1.0
C2' B:CDM501 3.8 26.0 1.0
CB B:LYS27 3.8 37.0 1.0
CL B:CL234 4.1 30.5 1.0
O B:GLY16 4.1 34.2 1.0
O B:HOH379 4.2 28.5 1.0
N B:GLY16 4.2 28.2 1.0
C B:SER17 4.3 34.9 1.0
O B:HOH343 4.3 39.6 1.0
CD B:LYS27 4.4 33.0 1.0
N B:LYS27 4.4 28.0 1.0
C3' B:CDM501 4.4 23.5 1.0
NZ B:LYS27 4.4 24.2 1.0
CA B:SER17 4.6 33.8 1.0
C6 B:CDM501 4.6 26.7 1.0
CG B:LYS27 4.7 45.8 1.0
O2A B:CDM501 4.7 30.2 1.0
CA B:LYS27 4.7 35.2 1.0
O5' B:CDM501 4.8 26.1 1.0
O B:HOH312 4.9 26.9 1.0
C B:GLY18 4.9 34.8 1.0
O B:HOH394 4.9 34.8 1.0
MG B:MG232 5.0 33.2 1.0

Chlorine binding site 4 out of 4 in 3q80

Go back to Chlorine Binding Sites List in 3q80
Chlorine binding site 4 out of 4 in the Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Mtb 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd) Complexed with Cdp-Me within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl234

b:30.5
occ:1.00
 O B:HOH381 2.7 33.5 1.0
O B:HOH394 3.2 34.8 1.0
N B:ARG20 3.3 28.5 1.0
N B:LEU21 3.4 29.3 1.0
CA B:GLY18 3.4 31.3 1.0
C B:GLY18 3.4 34.8 1.0
N B:GLU19 3.6 31.5 1.0
CB B:ARG20 3.7 34.2 1.0
NZ B:LYS27 3.7 24.2 1.0
CE B:LYS27 3.8 26.6 1.0
CD B:LYS27 3.8 33.0 1.0
CA B:ARG20 3.9 31.8 1.0
O B:GLY18 3.9 29.1 1.0
CL B:CL233 4.1 34.5 1.0
C B:ARG20 4.1 30.6 1.0
CB B:LEU21 4.1 29.1 1.0
N B:GLY18 4.2 28.3 1.0
O B:HOH253 4.2 31.8 1.0
C B:GLU19 4.3 29.0 1.0
CA B:LEU21 4.4 32.2 1.0
O B:HOH390 4.5 27.7 1.0
CA B:GLU19 4.5 28.4 1.0
O2A B:CDM501 4.6 30.2 1.0
OE1 B:GLU19 4.6 29.4 1.0
CG B:ARG20 4.7 40.6 1.0
CD B:GLU19 4.8 33.9 1.0
MG B:MG232 5.0 33.2 1.0
O B:THR217 5.0 29.6 1.0
CG B:LYS27 5.0 45.8 1.0

Reference:

M.C.M.Reddy, J.B.Bruning, C.Thurman, T.R.Ioerger, J.C.Sacchettini. Crystal Structure of Mycobacterium Tuberculosis 2-C-Methyl-D-Erythritol 4-Phosphate Cytidyltransferase (Ispd): A Candidate Antitubercular Drug Target Proteins 2011.
ISSN: ESSN 1097-0134
Page generated: Sun Jul 21 02:46:47 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy