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Sodium in PDB 5m5a: Crystal Structure of Melk in Complex with An Inhibitor

Enzymatic activity of Crystal Structure of Melk in Complex with An Inhibitor

All present enzymatic activity of Crystal Structure of Melk in Complex with An Inhibitor:
2.7.10.2; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Melk in Complex with An Inhibitor, PDB code: 5m5a was solved by G.Canevari, S.Re Depaolini, E.Casale, E.Felder, B.Kuster, S.Heinzlmeir, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.93 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.282, 91.206, 59.649, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 21.4

Other elements in 5m5a:

The structure of Crystal Structure of Melk in Complex with An Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Melk in Complex with An Inhibitor (pdb code 5m5a). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Melk in Complex with An Inhibitor, PDB code: 5m5a:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 5m5a

Go back to Sodium Binding Sites List in 5m5a
Sodium binding site 1 out of 2 in the Crystal Structure of Melk in Complex with An Inhibitor


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 Melk in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na401

b:69.5
occ:1.00
CE1 A:PHE206 4.0 33.9 1.0
CZ A:PHE206 4.1 34.0 1.0
CD1 A:PHE206 4.2 31.5 1.0
CE2 A:PHE206 4.5 33.2 1.0
CG A:PHE206 4.6 32.0 1.0
CD2 A:PHE206 4.7 32.6 1.0

Sodium binding site 2 out of 2 in 5m5a

Go back to Sodium Binding Sites List in 5m5a
Sodium binding site 2 out of 2 in the Crystal Structure of Melk in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Melk in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na402

b:35.5
occ:1.00
NE2 A:GLN274 3.1 39.7 1.0
N A:TRP273 3.4 31.2 1.0
O A:HOH511 3.4 42.6 1.0
N A:GLN274 3.5 34.9 1.0
CG A:GLN274 3.6 36.0 1.0
CA A:GLU272 3.6 35.2 1.0
CB A:GLN274 3.8 33.8 1.0
C A:GLU272 3.8 31.0 1.0
CD A:GLN274 3.9 36.9 1.0
CB A:GLU272 4.1 38.3 1.0
CD1 A:TRP273 4.1 38.9 1.0
NE1 A:TRP273 4.2 38.3 1.0
CG A:GLU272 4.2 43.8 1.0
CA A:GLN274 4.3 33.6 1.0
CG A:TRP273 4.4 35.9 1.0
O A:VAL271 4.5 33.1 1.0
CA A:TRP273 4.5 32.1 1.0
C A:TRP273 4.5 33.3 1.0
CE2 A:TRP273 4.5 37.6 1.0
CD2 A:TRP273 4.7 36.4 1.0
O A:GLU272 4.8 34.1 1.0
N A:GLU272 4.8 31.9 1.0

Reference:

S.Klaeger, S.Heinzlmeir, M.Wilhelm, H.Polzer, B.Vick, P.A.Koenig, M.Reinecke, B.Ruprecht, S.Petzoldt, C.Meng, J.Zecha, K.Reiter, H.Qiao, D.Helm, H.Koch, M.Schoof, G.Canevari, E.Casale, S.R.Depaolini, A.Feuchtinger, Z.Wu, T.Schmidt, L.Rueckert, W.Becker, J.Huenges, A.K.Garz, B.O.Gohlke, D.P.Zolg, G.Kayser, T.Vooder, R.Preissner, H.Hahne, N.Tonisson, K.Kramer, K.Gotze, F.Bassermann, J.Schlegl, H.C.Ehrlich, S.Aiche, A.Walch, P.A.Greif, S.Schneider, E.R.Felder, J.Ruland, G.Medard, I.Jeremias, K.Spiekermann, B.Kuster. The Target Landscape of Clinical Kinase Drugs. Science V. 358 2017.
ISSN: ESSN 1095-9203
PubMed: 29191878
DOI: 10.1126/SCIENCE.AAN4368
Page generated: Mon Oct 7 22:28:53 2024

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