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Magnesium in PDB 1hq2: Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution

Enzymatic activity of Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution

All present enzymatic activity of Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution:
2.7.6.3;

Protein crystallography data

The structure of Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution, PDB code: 1hq2 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) 30.00 / 1.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.372, 37.843, 58.018, 90.00, 117.18, 90.00
R / Rfree (%) 13.4 / 17.2

Other elements in 1hq2:

The structure of Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution (pdb code 1hq2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution, PDB code: 1hq2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1hq2

Go back to Magnesium Binding Sites List in 1hq2
Magnesium binding site 1 out of 2 in the Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg161

b:6.7
occ:1.00
 OD1 A:ASP95 2.0 6.3 1.0
O1A A:APC171 2.1 6.4 1.0
OD1 A:ASP97 2.1 6.3 1.0
O A:HOH201 2.1 7.1 1.0
O A:HOH210 2.1 9.2 1.0
O1B A:APC171 2.1 6.5 1.0
CG A:ASP95 3.0 8.0 1.0
CG A:ASP97 3.1 6.8 1.0
PA A:APC171 3.2 6.5 1.0
PB A:APC171 3.2 6.3 1.0
OD2 A:ASP95 3.3 9.0 1.0
C3A A:APC171 3.4 6.5 1.0
MG A:MG162 3.5 7.2 1.0
OD2 A:ASP97 3.5 7.1 1.0
O5' A:APC171 3.8 7.0 1.0
O A:HOH265 4.0 15.8 1.0
O A:HOH242 4.1 17.3 1.0
O2B A:APC171 4.1 8.4 1.0
OE2 A:GLU77 4.1 8.3 1.0
O A:LEU96 4.2 6.6 1.0
CB A:ASP95 4.4 6.3 1.0
NH1 A:ARG92 4.4 12.2 1.0
CB A:ASP97 4.4 6.9 1.0
O A:HOH204 4.4 7.3 1.0
O3B A:APC171 4.4 6.6 1.0
O2A A:APC171 4.5 7.3 1.0
C A:LEU96 4.5 5.6 1.0
O1G A:APC171 4.5 9.6 1.0
N A:LEU96 4.7 5.8 1.0
O4 A:PH2181 4.7 8.3 1.0
O3G A:APC171 4.7 7.1 1.0
CA A:ASP97 4.7 5.9 1.0
N3 A:APC171 4.7 7.1 1.0
C2 A:APC171 4.8 6.3 1.0
N A:ASP97 4.8 5.1 1.0
CA A:ASP95 4.8 6.1 1.0
PG A:APC171 4.9 6.9 1.0
C A:ASP95 4.9 5.2 1.0
O A:HOH228 4.9 13.6 1.0

Magnesium binding site 2 out of 2 in 1hq2

Go back to Magnesium Binding Sites List in 1hq2
Magnesium binding site 2 out of 2 in the Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Ternary Complex of E.Coli Hppk(R82A) with Mgampcpp and 6-Hydroxymethyl-7,8-Dihydropterin at 1.25 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg162

b:7.2
occ:1.00
 OD2 A:ASP97 2.0 7.1 1.0
O3G A:APC171 2.0 7.1 1.0
O A:HOH208 2.1 9.0 1.0
O4 A:PH2181 2.1 8.3 1.0
OD2 A:ASP95 2.2 9.0 1.0
O1B A:APC171 2.2 6.5 1.0
CG A:ASP97 3.0 6.8 1.0
PG A:APC171 3.2 6.9 1.0
CG A:ASP95 3.2 8.0 1.0
PB A:APC171 3.2 6.3 1.0
C11 A:PH2181 3.3 7.4 1.0
OD1 A:ASP97 3.3 6.3 1.0
O3B A:APC171 3.4 6.6 1.0
MG A:MG161 3.5 6.7 1.0
OD1 A:ASP95 3.6 6.3 1.0
O1G A:APC171 3.8 9.6 1.0
O A:HOH206 4.0 8.4 1.0
O2B A:APC171 4.0 8.4 1.0
C2 A:PH2181 4.1 6.2 1.0
N1 A:PH2181 4.1 6.0 1.0
NH1 A:ARG121 4.1 7.2 1.0
O A:HOH247 4.3 10.3 1.0
CB A:ASP97 4.3 6.9 1.0
O2G A:APC171 4.4 6.0 1.0
CB A:ASP95 4.5 6.3 1.0
O A:HOH253 4.6 14.9 1.0
O A:HOH210 4.6 9.2 1.0
O A:HOH203 4.6 8.9 1.0
NE2 A:HIS115 4.6 7.7 1.0
O A:HOH265 4.7 15.8 1.0
C3A A:APC171 4.7 6.5 1.0
O1A A:APC171 4.9 6.4 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-Dihydropterin Pyrophosphokinase: Crystallographic Studies Biochemistry V. 42 1573 2003.
ISSN: ISSN 0006-2960
PubMed: 12578370
DOI: 10.1021/BI0267994
Page generated: Tue Aug 13 04:03:12 2024

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