Atomistry » Chlorine » PDB 2c5u-2chw » 2ccj
Atomistry »
  Chlorine »
    PDB 2c5u-2chw »
      2ccj »

Chlorine in PDB 2ccj: Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate

Enzymatic activity of Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate

All present enzymatic activity of Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate:
2.7.4.9;

Protein crystallography data

The structure of Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate, PDB code: 2ccj was solved by M.Kotaka, B.Dhaliwal, J.Ren, C.E.Nichols, R.Angell, M.Lockyer, A.R.Hawkins, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.86 / 1.7
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.740, 90.130, 50.250, 90.00, 100.50, 90.00
R / Rfree (%) 18.2 / 22.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate (pdb code 2ccj). 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 S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate, PDB code: 2ccj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2ccj

Go back to Chlorine Binding Sites List in 2ccj
Chlorine binding site 1 out of 5 in the Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate


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 S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1206

b:27.4
occ:1.00
 ND2 A:ASN132 3.2 26.4 1.0
N A:ASN182 3.6 14.4 1.0
CA A:ASN182 3.7 14.8 1.0
C A:VAL181 3.7 14.2 1.0
CB A:ASN132 3.9 13.4 1.0
CB A:SER180 3.9 22.9 1.0
O A:VAL181 3.9 14.8 1.0
CB A:ASN182 3.9 16.1 1.0
CG A:ASN132 4.0 19.3 1.0
C A:SER180 4.2 19.4 1.0
N A:VAL181 4.2 12.7 1.0
CA A:VAL181 4.4 12.8 1.0
O A:SER180 4.4 20.5 1.0
O A:HOH2191 4.5 38.0 1.0
CA A:SER180 4.7 14.7 1.0
OG A:SER180 4.8 28.0 1.0
CG A:ASN182 4.9 18.6 1.0

Chlorine binding site 2 out of 5 in 2ccj

Go back to Chlorine Binding Sites List in 2ccj
Chlorine binding site 2 out of 5 in the Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate


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 S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1207

b:28.1
occ:1.00
 O A:HOH2015 2.9 34.6 1.0
O A:HOH2044 3.2 23.6 1.0
NZ A:LYS77 3.4 18.5 1.0
N A:ARG36 3.5 17.7 1.0
CA A:GLY39 3.6 19.0 1.0
CA A:THR35 3.7 14.2 1.0
O A:HOH2043 3.7 26.2 1.0
OG1 A:THR35 3.7 17.2 1.0
O A:ARG36 4.0 25.0 1.0
C A:THR35 4.0 16.3 1.0
O A:HOH2055 4.2 48.5 1.0
C A:GLY39 4.2 18.6 1.0
CB A:THR35 4.3 14.3 1.0
O A:GLY39 4.3 19.5 1.0
O A:MET34 4.4 18.0 1.0
CB A:ARG36 4.5 21.8 1.0
CA A:ARG36 4.5 19.7 1.0
O A:HOH2014 4.6 30.5 1.0
O A:HOH2094 4.6 38.8 1.0
O A:HOH2048 4.7 27.2 1.0
N A:GLY39 4.7 21.6 1.0
C A:ARG36 4.7 24.4 1.0
CE A:LYS77 4.8 16.1 1.0
N A:THR35 4.8 14.2 1.0

Chlorine binding site 3 out of 5 in 2ccj

Go back to Chlorine Binding Sites List in 2ccj
Chlorine binding site 3 out of 5 in the Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate


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 S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1208

b:29.6
occ:1.00
 N A:LEU187 3.3 19.0 1.0
O A:HOH2197 3.4 25.7 1.0
CA A:PRO186 3.8 18.6 1.0
CB A:LEU187 4.0 20.1 1.0
CG A:LEU187 4.0 31.0 1.0
C A:PRO186 4.0 18.0 1.0
CB A:PRO186 4.1 19.2 1.0
CA A:LEU187 4.2 18.6 1.0
CD1 A:LEU187 4.5 31.4 1.0

Chlorine binding site 4 out of 5 in 2ccj

Go back to Chlorine Binding Sites List in 2ccj
Chlorine binding site 4 out of 5 in the Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate


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 S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1206

b:32.9
occ:1.00
 O B:HOH2176 3.2 30.7 1.0
N B:LEU187 3.3 20.0 1.0
CA B:PRO186 3.8 20.0 1.0
CB B:PRO186 3.9 23.4 1.0
C B:PRO186 4.0 23.4 1.0
CB B:LEU187 4.0 25.2 1.0
CG B:LEU187 4.0 32.3 1.0
CA B:LEU187 4.2 22.8 1.0
CD1 B:LEU187 4.5 41.4 1.0
NZ B:LYS144 4.6 65.2 1.0
N B:GLU188 5.0 27.0 1.0

Chlorine binding site 5 out of 5 in 2ccj

Go back to Chlorine Binding Sites List in 2ccj
Chlorine binding site 5 out of 5 in the Crystal Structure of S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate


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 S. Aureus Thymidylate Kinase Complexed with Thymidine Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1207

b:47.2
occ:1.00
 O B:HOH2170 2.9 37.6 1.0
ND2 B:ASN132 3.3 37.0 1.0
N B:ASN182 3.5 20.2 1.0
CA B:ASN182 3.7 18.5 1.0
C B:VAL181 3.7 19.7 1.0
CB B:ASN132 3.8 15.9 1.0
O B:VAL181 3.9 18.6 1.0
CB B:SER180 3.9 22.5 1.0
CB B:ASN182 4.0 25.0 1.0
CG B:ASN132 4.1 24.3 1.0
N B:VAL181 4.2 15.7 1.0
C B:SER180 4.2 19.1 1.0
CA B:VAL181 4.4 16.4 1.0
O B:SER180 4.4 22.4 1.0
CA B:SER180 4.7 23.4 1.0
CG B:ASN182 4.8 30.3 1.0
OG B:SER180 4.9 33.5 1.0

Reference:

M.Kotaka, B.Dhaliwal, J.Ren, C.E.Nichols, R.Angell, M.Lockyer, A.R.Hawkins, D.K.Stammers. Structures of S. Aureus Thymidylate Kinase Reveal An Atypical Active Site Configuration and An Intermediate Conformational State Upon Substrate Binding Protein Sci. V. 15 774 2006.
ISSN: ISSN 0961-8368
PubMed: 16522804
DOI: 10.1110/PS.052002406
Page generated: Sat Jul 20 06:16:22 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