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Magnesium in PDB 1shk: The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi

Enzymatic activity of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi

All present enzymatic activity of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi:
2.7.1.71;

Protein crystallography data

The structure of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi, PDB code: 1shk was solved by T.Krell, J.R.Coggins, A.J.Lapthorn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 108.500, 108.500, 92.800, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 22.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi (pdb code 1shk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi, PDB code: 1shk:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 1shk

Go back to Magnesium Binding Sites List in 1shk
Magnesium binding site 1 out of 3 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg902

b:37.6
occ:1.00
O A:GLN144 2.3 35.1 1.0
O A:HOH1027 2.3 33.8 1.0
O A:ALA147 2.3 31.7 1.0
O A:HOH995 2.4 44.6 1.0
O A:HOH1026 2.4 32.5 1.0
C A:ALA147 3.4 33.3 1.0
C A:GLN144 3.5 34.0 1.0
N A:ALA147 3.9 30.6 1.0
O A:ASP145 4.0 33.6 1.0
CA A:ALA147 4.0 33.0 1.0
O A:HOH937 4.0 43.1 1.0
CB A:ALA147 4.1 33.3 1.0
C A:ASP145 4.2 34.6 1.0
NH1 A:ARG92 4.3 31.8 1.0
CA A:GLN144 4.3 34.4 1.0
N A:ASP145 4.4 32.9 1.0
CA A:ASP145 4.4 33.8 1.0
N A:HIS148 4.5 30.3 1.0
C A:VAL146 4.7 32.4 1.0
CA A:HIS148 4.8 30.5 1.0
N A:VAL146 4.8 32.5 1.0
OE1 A:GLN144 4.9 43.7 1.0
CB A:GLN144 5.0 36.6 1.0

Magnesium binding site 2 out of 3 in 1shk

Go back to Magnesium Binding Sites List in 1shk
Magnesium binding site 2 out of 3 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg903

b:34.8
occ:1.00
O A:ARG92 2.2 35.6 1.0
O A:GLY95 2.4 34.6 1.0
O A:ALA93 2.6 34.3 1.0
C A:GLY95 3.3 35.2 1.0
C A:ARG92 3.3 37.7 1.0
C A:ALA93 3.3 40.1 1.0
N A:GLY95 3.5 36.1 1.0
CA A:GLY95 3.7 36.7 1.0
CA A:ALA93 3.9 39.2 1.0
N A:ALA93 4.1 38.8 1.0
C A:HIS94 4.1 37.6 1.0
N A:HIS94 4.2 38.5 1.0
CA A:ARG92 4.4 38.6 1.0
N A:THR96 4.5 34.5 1.0
CE1 A:HIS148 4.6 34.0 1.0
O A:MET91 4.6 38.9 1.0
O A:HIS94 4.6 37.0 1.0
CA A:HIS94 4.7 38.4 1.0
OG1 A:THR96 4.8 31.3 1.0

Magnesium binding site 3 out of 3 in 1shk

Go back to Magnesium Binding Sites List in 1shk
Magnesium binding site 3 out of 3 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg901

b:34.3
occ:1.00
O B:GLN144 2.2 32.5 1.0
O B:HOH958 2.3 42.6 1.0
O B:ALA147 2.3 30.6 1.0
O B:HOH954 2.3 34.5 1.0
O B:HOH955 2.4 34.4 1.0
C B:GLN144 3.4 34.8 1.0
C B:ALA147 3.5 32.5 1.0
O B:HOH994 3.9 47.4 1.0
N B:ALA147 4.0 32.2 1.0
CA B:ALA147 4.1 30.7 1.0
O B:ASP145 4.1 29.9 1.0
C B:ASP145 4.2 28.2 1.0
CB B:ALA147 4.2 33.9 1.0
CA B:GLN144 4.3 33.4 1.0
NH1 B:ARG92 4.3 30.1 1.0
CA B:ASP145 4.4 31.3 1.0
N B:ASP145 4.4 32.9 1.0
N B:HIS148 4.6 32.8 1.0
OE1 B:GLN144 4.7 35.8 1.0
C B:VAL146 4.7 30.9 1.0
CA B:HIS148 4.8 32.4 1.0
N B:VAL146 4.8 29.6 1.0
CB B:GLN144 4.9 35.1 1.0
O B:HOH1035 5.0 64.3 1.0

Reference:

T.Krell, J.E.Coyle, M.J.Horsburgh, J.R.Coggins, A.J.Lapthorn. Crystallization and Preliminary X-Ray Crystallographic Analysis of Shikimate Kinase From Erwinia Chrysanthemi. Acta Crystallogr.,Sect.D V. 53 612 1997.
ISSN: ISSN 0907-4449
PubMed: 15299895
DOI: 10.1107/S0907444997004319
Page generated: Tue Aug 13 13:43:29 2024

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