Atomistry » Magnesium » PDB 2reu-2uxc » 2shk
Atomistry »
  Magnesium »
    PDB 2reu-2uxc »
      2shk »

Magnesium in PDB 2shk: The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp

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

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

Protein crystallography data

The structure of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp, PDB code: 2shk 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 / 2.60
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 (%) 18.4 / 26.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp (pdb code 2shk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp, PDB code: 2shk:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2shk

Go back to Magnesium Binding Sites List in 2shk
Magnesium binding site 1 out of 4 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp


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 Complexed with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg902

b:38.9
occ:1.00
O A:HOH904 2.3 20.5 1.0
O A:ALA147 2.3 33.0 1.0
O A:GLN144 2.3 36.7 1.0
O A:HOH946 2.4 49.8 1.0
C A:ALA147 3.3 34.0 1.0
C A:GLN144 3.5 39.0 1.0
O A:HOH959 4.0 48.2 1.0
CA A:ALA147 4.1 33.7 1.0
N A:ALA147 4.1 34.3 1.0
NH1 A:ARG92 4.2 36.6 1.0
CB A:ALA147 4.2 34.5 1.0
O A:ASP145 4.3 35.0 1.0
C A:ASP145 4.4 37.4 1.0
N A:HIS148 4.4 32.5 1.0
CA A:GLN144 4.4 39.0 1.0
N A:ASP145 4.5 36.8 1.0
CA A:ASP145 4.6 39.8 1.0
CA A:HIS148 4.8 31.6 1.0
C A:VAL146 4.8 35.1 1.0
OE1 A:GLN144 4.9 42.1 1.0
N A:VAL146 5.0 35.0 1.0

Magnesium binding site 2 out of 4 in 2shk

Go back to Magnesium Binding Sites List in 2shk
Magnesium binding site 2 out of 4 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp


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 Complexed with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg903

b:38.9
occ:1.00
O A:ARG92 2.4 33.7 1.0
O A:GLY95 2.5 34.6 1.0
O A:ALA93 2.6 44.9 1.0
C A:GLY95 3.4 34.8 1.0
C A:ALA93 3.5 43.0 1.0
C A:ARG92 3.5 35.5 1.0
N A:GLY95 3.6 36.6 1.0
CA A:GLY95 3.8 36.0 1.0
C A:HIS94 4.0 37.7 1.0
CA A:ALA93 4.1 41.2 1.0
N A:ALA93 4.3 37.1 1.0
N A:HIS94 4.4 42.6 1.0
O A:HIS94 4.5 34.6 1.0
N A:THR96 4.5 33.3 1.0
O A:MET91 4.6 37.4 1.0
CA A:ARG92 4.6 36.6 1.0
CE1 A:HIS148 4.6 37.7 1.0
CA A:HIS94 4.6 39.8 1.0
OG1 A:THR96 5.0 26.5 1.0

Magnesium binding site 3 out of 4 in 2shk

Go back to Magnesium Binding Sites List in 2shk
Magnesium binding site 3 out of 4 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp


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 Complexed with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg901

b:34.5
occ:1.00
O B:HOH967 2.2 42.9 1.0
O B:ALA147 2.4 30.1 1.0
O B:GLN144 2.4 36.1 1.0
O B:HOH924 2.5 32.3 1.0
C B:ALA147 3.5 31.3 1.0
C B:GLN144 3.6 35.4 1.0
O B:HOH959 3.8 46.7 1.0
CA B:ALA147 4.2 31.4 1.0
CB B:ALA147 4.3 31.0 1.0
N B:ALA147 4.3 29.6 1.0
CA B:GLN144 4.4 35.3 1.0
NH1 B:ARG92 4.5 31.0 1.0
O B:ASP145 4.5 29.0 1.0
C B:ASP145 4.5 31.1 1.0
N B:HIS148 4.6 30.4 1.0
OE1 B:GLN144 4.6 41.0 1.0
N B:ASP145 4.6 34.5 1.0
CA B:ASP145 4.7 33.6 1.0
CA B:HIS148 4.8 30.4 1.0
CB B:GLN144 4.9 34.7 1.0
O B:HIS148 5.0 30.0 1.0

Magnesium binding site 4 out of 4 in 2shk

Go back to Magnesium Binding Sites List in 2shk
Magnesium binding site 4 out of 4 in the The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Three-Dimensional Structure of Shikimate Kinase From Erwinia Chrysanthemi Complexed with Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg904

b:73.5
occ:1.00
O2B B:ADP905 2.4 0.9 1.0
OG1 B:THR16 2.6 48.9 1.0
O B:HOH958 2.9 67.0 1.0
OD2 B:ASP32 3.2 55.2 1.0
PB B:ADP905 3.8 0.3 1.0
O3B B:ADP905 3.9 0.7 1.0
CB B:THR16 3.9 49.0 1.0
O1A B:ADP905 3.9 0.3 1.0
CG B:ASP32 4.3 53.5 1.0
N B:THR16 4.3 47.9 1.0
O B:HOH911 4.3 34.9 1.0
OD2 B:ASP34 4.6 58.3 1.0
OD1 B:ASP32 4.6 55.6 1.0
O3A B:ADP905 4.7 0.3 1.0
CA B:THR16 4.7 49.9 1.0
CB B:LYS15 4.8 47.1 1.0
O1B B:ADP905 4.8 0.0 1.0
PA B:ADP905 4.9 0.2 1.0
CG2 B:THR16 4.9 49.1 1.0
O B:THR77 5.0 42.0 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: Mon Dec 14 07:38:41 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy