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Sodium in PDB 6g39: Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin

Enzymatic activity of Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin

All present enzymatic activity of Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin, PDB code: 6g39 was solved by C.Heroven, A.Chaikuad, C.Bountra, C.H.Arrowsmith, A.M.Edwards, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.01 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.820, 78.990, 79.540, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 17.5

Other elements in 6g39:

The structure of Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin also contains other interesting chemical elements:

Iodine (I) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin (pdb code 6g39). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin, PDB code: 6g39:

Sodium binding site 1 out of 1 in 6g39

Go back to Sodium Binding Sites List in 6g39
Sodium binding site 1 out of 1 in the Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Haspin F605Y Mutant in Complex with 5- Iodotubercidin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na801

b:25.4
occ:1.00
 O A:HOH1144 2.1 44.0 1.0
O A:HOH917 2.1 22.1 1.0
O A:GLU554 2.4 16.4 1.0
O A:PHE556 2.4 14.7 0.5
OG A:SER684 2.5 18.4 1.0
O A:PHE556 3.2 15.0 0.5
CB A:SER684 3.5 16.0 1.0
C A:PHE556 3.6 13.9 0.5
C A:GLU554 3.6 15.7 1.0
C A:PHE556 3.8 13.6 0.5
OE2 A:GLU606 3.9 28.0 1.0
C A:GLY555 4.0 14.1 1.0
CA A:SER684 4.0 14.8 1.0
O A:VAL683 4.0 17.0 1.0
N A:PHE556 4.0 12.9 0.5
CA A:GLY555 4.0 14.4 1.0
N A:PHE556 4.1 13.0 0.5
OE1 A:GLU606 4.2 30.8 1.0
CA A:ILE557 4.2 15.4 0.5
N A:GLY555 4.3 14.5 1.0
O A:HOH985 4.3 26.4 1.0
O A:HOH974 4.4 42.0 1.0
N A:ILE557 4.4 14.8 0.5
N A:ILE557 4.4 13.7 0.5
CA A:ILE557 4.4 14.9 0.5
O A:HOH1090 4.4 41.8 1.0
O A:GLY555 4.4 14.8 1.0
CD A:GLU606 4.5 27.9 1.0
CA A:PHE556 4.5 12.7 0.5
CA A:PHE556 4.5 12.9 0.5
N A:SER684 4.7 14.5 1.0
C A:VAL683 4.7 15.5 1.0
CA A:GLU554 4.7 16.8 1.0
O A:HOH966 4.7 18.7 1.0
CB A:GLU554 4.7 19.5 1.0
CD1 A:ILE557 4.8 18.0 0.5
OE1 A:GLN682 4.9 41.8 1.0
CG A:GLN682 5.0 27.8 1.0

Reference:

C.Heroven, V.Georgi, G.K.Ganotra, P.Brennan, F.Wolfreys, R.C.Wade, A.E.Fernandez-Montalvan, A.Chaikuad, S.Knapp. Halogen-Aromatic Pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl. V. 57 7220 2018.
ISSN: ESSN 1521-3773
PubMed: 29601130
DOI: 10.1002/ANIE.201801666
Page generated: Tue Oct 8 08:54:38 2024

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