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Chlorine in PDB 1tmm: Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin

Enzymatic activity of Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin

All present enzymatic activity of Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin:
2.7.6.3;

Protein crystallography data

The structure of Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin, PDB code: 1tmm was solved by J.Blaszczyk, Y.Li, Y.Wu, G.Shi, X.Ji, H.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.992, 47.392, 71.438, 90.00, 104.13, 90.00
R / Rfree (%) 13.2 / 16.4

Other elements in 1tmm:

The structure of Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin (pdb code 1tmm). 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 Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin, PDB code: 1tmm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1tmm

Go back to Chlorine Binding Sites List in 1tmm
Chlorine binding site 1 out of 3 in the Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin


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 Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl164

b:18.1
occ:1.00
 O A:HOH688 3.0 25.2 1.0
NZ A:LYS119 3.3 28.6 1.0
O A:HOH771 3.3 32.5 1.0
CG A:ASP139 3.4 24.4 1.0
N A:ASP139 3.4 17.7 1.0
OD1 A:ASP139 3.6 22.8 1.0
CB A:ASP139 3.6 22.6 1.0
CB A:PHE137 3.7 13.4 1.0
CD A:PRO138 3.7 13.0 1.0
OD2 A:ASP139 3.7 25.7 1.0
CG A:PRO114 3.8 10.1 1.0
CE A:LYS119 3.9 18.4 1.0
N A:PRO138 3.9 14.1 1.0
CD2 A:PHE137 4.2 12.1 1.0
CA A:ASP139 4.2 20.3 1.0
CB A:PRO138 4.2 16.3 1.0
CG A:PHE137 4.3 14.1 1.0
O A:HOH847 4.3 62.7 1.0
C A:PRO138 4.3 18.9 1.0
CG A:PRO138 4.4 12.4 1.0
CA A:PRO138 4.4 16.0 1.0
C A:PHE137 4.5 14.2 1.0
OXT A:ACT168 4.6 37.2 1.0
CD A:PRO114 4.6 9.4 1.0
CB A:PRO114 4.6 10.0 1.0
CA A:PHE137 4.6 12.9 1.0
O A:HOH783 4.9 29.3 1.0
O A:HOH705 5.0 30.2 1.0

Chlorine binding site 2 out of 3 in 1tmm

Go back to Chlorine Binding Sites List in 1tmm
Chlorine binding site 2 out of 3 in the Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin


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 Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl364

b:16.1
occ:1.00
 O A:HOH643 3.0 22.3 1.0
O A:HOH503 3.1 14.6 1.0
N A:VAL83 3.3 12.1 1.0
N A:ARG84 3.3 13.9 1.0
CG2 A:VAL83 3.8 23.1 1.0
CD A:ARG82 3.8 10.4 1.0
CB A:ARG84 3.9 25.0 1.0
CA A:ARG82 3.9 10.8 1.0
CG A:ARG84 4.1 33.0 1.0
C A:ARG82 4.1 11.0 1.0
CA A:VAL83 4.1 15.2 1.0
C A:VAL83 4.1 16.4 1.0
O A:GLY81 4.1 13.1 1.0
CA A:ARG84 4.1 17.9 1.0
NE A:ARG82 4.3 10.3 1.0
CB A:VAL83 4.5 15.5 1.0
CG A:ARG82 4.6 11.8 1.0
O A:HOH628 4.7 26.9 1.0
O A:ARG84 4.7 20.0 1.0
CB A:ARG82 4.7 11.9 1.0
C A:ARG84 4.9 16.5 1.0
O A:PRO91 5.0 16.4 1.0
C A:GLY81 5.0 11.2 1.0
N A:ARG82 5.0 10.9 1.0
CB A:ARG92 5.0 23.7 1.0

Chlorine binding site 3 out of 3 in 1tmm

Go back to Chlorine Binding Sites List in 1tmm
Chlorine binding site 3 out of 3 in the Crystal Structure of Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin


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 Ternary Complex of E.Coli Hppk(W89A) with Mgampcpp and 6-Hydroxymethylpterin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl363

b:20.4
occ:1.00
 O B:HOH525 3.0 21.0 1.0
NZ B:LYS319 3.0 31.4 1.0
O B:HOH1025 3.4 40.8 1.0
CG B:ASP339 3.5 22.5 1.0
N B:ASP339 3.5 14.7 1.0
CB B:ASP339 3.6 21.4 1.0
OD1 B:ASP339 3.6 24.6 1.0
CB B:PHE337 3.7 14.3 1.0
CD B:PRO338 3.8 12.5 1.0
CG B:PRO314 3.8 9.7 1.0
OD2 B:ASP339 3.8 28.0 1.0
CE B:LYS319 3.8 17.8 1.0
O B:HOH742 4.0 32.7 1.0
N B:PRO338 4.0 12.0 1.0
O B:HOH484 4.1 33.5 1.0
O B:HOH761 4.1 36.4 1.0
CD2 B:PHE337 4.2 14.3 1.0
CA B:ASP339 4.2 17.2 1.0
CB B:PRO338 4.3 13.0 1.0
CG B:PHE337 4.4 14.2 1.0
CG B:PRO338 4.4 12.6 1.0
C B:PRO338 4.5 13.0 1.0
CA B:PRO338 4.5 11.0 1.0
CD B:PRO314 4.5 10.0 1.0
C B:PHE337 4.5 12.4 1.0
CB B:PRO314 4.6 10.0 1.0
CA B:PHE337 4.7 13.5 1.0

Reference:

Y.Li, J.Blaszczyk, Y.Wu, G.Shi, X.Ji, H.Yan. Is the Critical Role of Loop 3 of Escherichia Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies. Biochemistry V. 44 8590 2005.
ISSN: ISSN 0006-2960
PubMed: 15952765
DOI: 10.1021/BI0503495
Page generated: Sat Jul 20 02:33:09 2024

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