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Chlorine in PDB 3ip0: Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin

Enzymatic activity of Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin

All present enzymatic activity of Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin:
2.7.6.3;

Protein crystallography data

The structure of Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin, PDB code: 3ip0 was solved by J.Blaszczyk, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.20 / 0.89
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.470, 37.910, 57.850, 90.00, 117.18, 90.00
R / Rfree (%) 12.8 / 12.8

Other elements in 3ip0:

The structure of Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin (pdb code 3ip0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin, PDB code: 3ip0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3ip0

Go back to Chlorine Binding Sites List in 3ip0
Chlorine binding site 1 out of 3 in the Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin


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 E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl191

b:10.2
occ:0.81
HZ1 A:LYS119 2.4 26.8 1.0
H A:ASP139 2.6 12.2 1.0
HB3 A:PHE137 2.6 10.2 1.0
HG2 A:PRO114 2.8 9.8 1.0
HD2 A:PRO138 2.8 10.0 1.0
HB3 A:ASP139 2.9 16.4 1.0
NZ A:LYS119 3.3 22.3 1.0
N A:ASP139 3.3 10.1 1.0
O A:HOH510 3.4 13.0 0.6
HD2 A:PHE137 3.4 10.9 1.0
HZ2 A:LYS119 3.4 26.8 1.0
HE3 A:LYS119 3.5 20.0 1.0
HB2 A:PRO138 3.5 11.2 1.0
CG A:ASP139 3.5 12.6 1.0
OD1 A:ASP139 3.6 12.1 1.0
CB A:ASP139 3.6 13.6 1.0
CB A:PHE137 3.6 8.4 1.0
CD A:PRO138 3.6 8.3 1.0
CG A:PRO114 3.8 8.1 1.0
N A:PRO138 3.8 7.9 1.0
CE A:LYS119 3.8 16.6 1.0
HB2 A:PHE137 3.9 10.2 1.0
HZ3 A:LYS119 4.0 26.8 1.0
CD2 A:PHE137 4.0 9.0 1.0
HE2 A:LYS119 4.0 20.0 1.0
CA A:ASP139 4.0 12.2 1.0
HG3 A:PRO114 4.1 9.8 1.0
OD2 A:ASP139 4.1 13.7 1.0
CB A:PRO138 4.1 9.3 1.0
CG A:PHE137 4.2 8.2 1.0
C A:PRO138 4.2 9.3 1.0
HG2 A:PRO138 4.3 11.0 1.0
CA A:PRO138 4.3 8.7 1.0
CG A:PRO138 4.3 9.1 1.0
C A:PHE137 4.3 7.9 1.0
HD3 A:PRO138 4.4 10.0 1.0
HD2 A:PRO114 4.4 8.9 1.0
HB2 A:ASP139 4.4 16.4 1.0
HB2 A:PRO114 4.5 9.4 1.0
CA A:PHE137 4.5 8.2 1.0
CD A:PRO114 4.6 7.3 1.0
CB A:PRO114 4.6 7.8 1.0
O A:HOH510 4.6 20.2 0.4
HA A:ASP139 4.6 14.7 1.0
HA A:PHE137 4.7 9.8 1.0
HB3 A:PRO114 4.8 9.4 1.0
HD3 A:PRO114 4.8 8.9 1.0

Chlorine binding site 2 out of 3 in 3ip0

Go back to Chlorine Binding Sites List in 3ip0
Chlorine binding site 2 out of 3 in the Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin


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 E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl192

b:11.8
occ:0.50
O A:HOH222 2.8 9.2 1.0
O A:HOH206 2.8 10.0 1.0
HA A:TYR116 3.3 6.3 1.0
HG21 A:THR112 3.4 11.1 1.0
HB2 A:TYR116 3.4 7.2 1.0
HG23 A:THR112 4.0 11.1 1.0
CG2 A:THR112 4.0 9.2 1.0
CB A:TYR116 4.0 6.0 1.0
HB3 A:TYR116 4.0 7.2 1.0
HG22 A:THR112 4.0 11.1 1.0
CA A:TYR116 4.1 5.2 1.0
O A:HOH519 4.5 7.7 0.5
O A:HOH510 4.5 20.2 0.4
O A:TYR116 4.6 6.8 1.0
O A:HOH204 4.7 11.9 1.0
O A:HOH494 4.7 12.0 0.4
C A:TYR116 4.9 5.5 1.0
O A:PRO114 4.9 6.0 1.0

Chlorine binding site 3 out of 3 in 3ip0

Go back to Chlorine Binding Sites List in 3ip0
Chlorine binding site 3 out of 3 in the Crystal Structure of E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin


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 E. Coli Hppk in Complex with Mgampcpp and 6- Hydroxymethylpterin/6-Carboxypterin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl193

b:14.8
occ:0.40
O A:HOH453 2.7 35.5 0.9
O A:HOH324 2.9 24.6 1.0
HA A:PRO47 3.5 12.4 1.0
O A:HOH391 3.7 35.8 1.0
O A:GLY46 3.8 10.0 1.0
HG2 A:GLN48 3.9 11.1 1.0
H A:GLN48 4.3 9.4 1.0
CA A:PRO47 4.3 10.3 1.0
C A:GLY46 4.3 8.6 1.0
O A:HOH413 4.5 38.7 1.0
O A:HOH289 4.5 19.9 1.0
N A:PRO47 4.6 9.2 1.0
O A:HOH399 4.6 30.2 1.0
CG A:GLN48 4.7 9.2 1.0
N A:GLN48 4.8 7.8 1.0
O A:HOH451 4.8 10.3 0.5
HG3 A:GLN48 4.8 11.1 1.0
HE22 A:GLN48 4.9 11.5 1.0
HA2 A:GLY46 4.9 11.6 1.0
C A:PRO47 5.0 8.2 1.0

Reference:

J.Blaszczyk, Y.Li, G.Shi, H.Yan, X.Ji. Dynamic Roles of Arginine Residues 82 and 92 of Escherichia Coli 6-Hydroxymethyl-7,8-Dihydroptein Pyrophosphokinase: Crystallographic Studies Biochemistry V. 42 1573 2003.
ISSN: ISSN 0006-2960
PubMed: 12578370
DOI: 10.1021/BI0267994
Page generated: Sat Jul 20 21:47:15 2024

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