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Calcium in PDB 2yhw: High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.

Enzymatic activity of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.

All present enzymatic activity of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.:
2.7.1.60;

Protein crystallography data

The structure of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling., PDB code: 2yhw was solved by J.Martinez, L.D.Nguyen, E.Tauberger, S.Hinderlich, R.Zimmer, E.Tauberger, W.Reutter, W.Saenger, H.Fan, S.Moniot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.37 / 1.64
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 90.730, 90.730, 100.780, 90.00, 90.00, 90.00
R / Rfree (%) 14.82 / 17.019

Other elements in 2yhw:

The structure of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. (pdb code 2yhw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling., PDB code: 2yhw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 2yhw

Go back to Calcium Binding Sites List in 2yhw
Calcium binding site 1 out of 2 in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1724

b:13.0
occ:0.50
 CA A:CA1724 0.0 13.0 0.5
CA A:CA1724 1.4 23.5 0.3
O A:GLY548 2.4 11.9 1.0
OD1 A:ASN516 2.5 13.3 1.0
O A:ALA565 2.6 12.4 1.0
O A:HOH2108 2.6 9.8 1.0
OD1 A:ASN519 3.3 14.6 1.0
C A:ALA565 3.4 12.2 1.0
CG A:ASN516 3.4 12.8 1.0
C A:GLY548 3.5 11.5 1.0
CB A:ALA565 3.8 13.3 1.0
N A:GLY548 3.9 12.9 1.0
O A:HOH2067 3.9 19.6 1.0
O A:ALA564 3.9 14.9 1.0
CG A:ASN519 4.0 15.9 1.0
N A:ASN519 4.0 12.5 1.0
CA A:GLY548 4.1 13.6 1.0
CA A:ALA565 4.1 12.2 1.0
ND2 A:ASN516 4.1 11.4 1.0
N A:GLU566 4.2 11.3 1.0
CA A:GLY518 4.2 12.2 1.0
CB A:ASN516 4.3 11.9 1.0
C A:GLY518 4.3 12.0 1.0
N A:GLY549 4.5 11.8 1.0
CA A:GLU566 4.5 11.2 1.0
ND2 A:ASN519 4.5 14.0 1.0
N A:GLY518 4.5 11.7 1.0
OE2 A:GLU566 4.7 14.8 1.0
CA A:GLY549 4.8 12.3 1.0
CD A:GLU566 4.8 14.3 1.0
CA A:ASN519 4.8 11.2 1.0
O4 A:BM31718 4.8 12.3 1.0
O A:HOH2111 4.9 13.3 1.0
C A:ALA564 4.9 14.0 1.0
CB A:ASN519 4.9 11.9 1.0
CG A:GLU566 4.9 13.4 1.0
N A:ALA565 5.0 12.0 1.0

Calcium binding site 2 out of 2 in 2yhw

Go back to Calcium Binding Sites List in 2yhw
Calcium binding site 2 out of 2 in the High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High-Resolution Crystal Structures of N-Acetylmannosamine Kinase: Insights About Substrate Specificity, Activity and Inhibitor Modelling. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1724

b:23.5
occ:0.35
 CA A:CA1724 0.0 23.5 0.3
CA A:CA1724 1.4 13.0 0.5
O A:ALA564 2.8 14.9 1.0
O A:ALA565 3.1 12.4 1.0
O A:HOH2067 3.1 19.6 1.0
OD1 A:ASN516 3.1 13.3 1.0
OD1 A:ASN519 3.1 14.6 1.0
C A:ALA565 3.3 12.2 1.0
O A:GLY548 3.5 11.9 1.0
CG A:ASN516 3.6 12.8 1.0
O A:HOH2111 3.6 13.3 1.0
O A:HOH2108 3.6 9.8 1.0
CB A:ALA565 3.7 13.3 1.0
CG A:ASN519 3.7 15.9 1.0
ND2 A:ASN519 3.9 14.0 1.0
CA A:ALA565 3.9 12.2 1.0
N A:GLU566 3.9 11.3 1.0
C A:ALA564 4.0 14.0 1.0
CB A:ASN516 4.1 11.9 1.0
ND2 A:ASN516 4.3 11.4 1.0
N A:ALA565 4.4 12.0 1.0
CG A:GLU566 4.4 13.4 1.0
OE2 A:GLU566 4.4 14.8 1.0
CA A:GLU566 4.5 11.2 1.0
C A:GLY548 4.5 11.5 1.0
O A:HOH2068 4.6 9.3 1.0
CD A:GLU566 4.6 14.3 1.0
N A:ASN519 4.7 12.5 1.0
CB A:ASN519 4.9 11.9 1.0
O A:HOH2110 4.9 10.3 1.0

Reference:

J.Martinez, L.D.Nguyen, E.Tauberger, S.Hinderlich, W.Reutter, H.Fan, W.Saenger, S.Moniot. Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition J.Biol.Chem. V. 287 13656 2012.
ISSN: ISSN 0021-9258
PubMed: 22343627
DOI: 10.1074/JBC.M111.318170
Page generated: Sat Dec 12 04:00:30 2020

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