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Magnesium in PDB 3niz: Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound.

Protein crystallography data

The structure of Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound., PDB code: 3niz was solved by A.K.Wernimont, A.Dong, J.Lew, Y.H.Lin, A.Hassanali, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, A.Bochkarev, R.Hui, J.D.Artz, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 2.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 64.337, 64.337, 200.039, 90.00, 90.00, 90.00
R / Rfree (%) 22.1 / 25.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound. (pdb code 3niz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound., PDB code: 3niz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3niz

Go back to Magnesium Binding Sites List in 3niz
Magnesium binding site 1 out of 2 in the Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg312

b:61.9
occ:1.00
O1A A:ADP314 2.1 71.3 1.0
OD1 A:ASN149 2.2 54.1 1.0
OD1 A:ASP162 2.3 52.8 1.0
O1B A:ADP314 2.4 70.8 1.0
CG A:ASP162 3.3 49.7 1.0
CG A:ASN149 3.3 57.5 1.0
PA A:ADP314 3.4 71.1 1.0
PB A:ADP314 3.6 70.3 1.0
CB A:ASP162 3.7 40.0 1.0
NE2 A:GLN148 3.7 81.2 1.0
O3A A:ADP314 3.7 71.1 1.0
ND2 A:ASN149 3.8 46.1 1.0
O5' A:ADP314 3.9 72.6 1.0
O A:HOH365 4.2 58.5 1.0
O3B A:ADP314 4.2 70.9 1.0
OD2 A:ASP162 4.4 56.5 1.0
O2A A:ADP314 4.5 72.2 1.0
O3' A:ADP314 4.5 73.4 1.0
CB A:ASN149 4.6 43.0 1.0
O A:HOH362 4.6 61.5 1.0
CD A:GLN148 4.7 88.0 1.0
CG A:GLN148 4.7 66.8 1.0
O2B A:ADP314 4.9 72.0 1.0
CA A:ASN149 4.9 47.6 1.0

Magnesium binding site 2 out of 2 in 3niz

Go back to Magnesium Binding Sites List in 3niz
Magnesium binding site 2 out of 2 in the Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg313

b:71.2
occ:1.00
O A:HOH366 2.0 61.7 1.0
O3B A:ADP314 2.0 70.9 1.0
O A:HOH365 2.2 58.5 1.0
PB A:ADP314 3.5 70.3 1.0
OD2 A:ASP162 3.8 56.5 1.0
O2B A:ADP314 4.0 72.0 1.0
O3A A:ADP314 4.3 71.1 1.0
OD1 A:ASP162 4.3 52.8 1.0
NZ A:LYS51 4.4 54.9 1.0
O1B A:ADP314 4.4 70.8 1.0
O A:HOH333 4.4 61.9 1.0
CG A:ASP162 4.5 49.7 1.0
CD2 A:TYR34 4.5 94.1 1.0
OE1 A:GLU69 4.6 62.8 1.0
CE2 A:TYR34 4.8 95.3 1.0
CE A:LYS51 4.9 49.2 1.0

Reference:

A.K.Wernimont, A.Dong, J.Lew, Y.H.Lin, A.Hassanali, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, A.Bochkarev, R.Hui, J.D.Artz. Cryptosporidium Parvum Cyclin-Dependent Kinase CGD5_2510 with Adp Bound. To Be Published.
Page generated: Mon Dec 14 08:28:52 2020

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