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Sodium in PDB 4jg7: Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide

Enzymatic activity of Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide

All present enzymatic activity of Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide:
2.7.11.1;

Protein crystallography data

The structure of Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide, PDB code: 4jg7 was solved by R.M.Miller, V.O.Paavilainen, S.Krishnan, I.M.Serafimova, J.Taunton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.04 / 3.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 47.660, 47.660, 292.120, 90.00, 90.00, 90.00
R / Rfree (%) 25.9 / 29.8

Sodium Binding Sites:

The binding sites of Sodium atom in the Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide (pdb code 4jg7). 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 Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide, PDB code: 4jg7:

Sodium binding site 1 out of 1 in 4jg7

Go back to Sodium Binding Sites List in 4jg7
Sodium binding site 1 out of 1 in the Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of RSK2 Ctd Bound to 3-(3-(1H-Pyrrolo[2,3-B]Pyridine-3- Carbonyl)Phenyl)-2-Cyanoacrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na802

b:18.8
occ:1.00
 O A:HIS473 2.3 19.5 1.0
OG1 A:THR478 2.4 20.8 1.0
O A:ILE476 2.5 19.1 1.0
O A:GLY471 2.7 19.4 1.0
HA A:PRO474 3.2 22.2 1.0
H A:ILE476 3.3 22.0 1.0
C A:HIS473 3.4 19.1 1.0
O A:PRO474 3.5 19.2 1.0
C A:ILE476 3.6 18.9 1.0
CB A:THR478 3.7 21.1 1.0
CA A:PRO474 3.7 18.5 1.0
C A:PRO474 3.8 19.1 1.0
HA A:THR478 3.9 24.6 1.0
C A:GLY471 3.9 20.1 1.0
N A:PRO474 4.0 18.6 1.0
N A:ILE476 4.0 18.3 1.0
N A:THR478 4.1 20.0 1.0
HB A:ILE476 4.1 22.9 1.0
H A:THR478 4.1 24.0 1.0
CA A:THR478 4.1 20.5 1.0
HE A:ARG558 4.1 24.6 1.0
HG23 A:THR478 4.2 27.9 1.0
O A:GLN472 4.2 20.2 1.0
C A:GLN472 4.2 20.1 1.0
OE2 A:GLU494 4.3 20.5 1.0
CA A:ILE476 4.3 18.6 1.0
HB A:THR478 4.4 25.3 1.0
N A:HIS473 4.4 19.7 1.0
CG2 A:THR478 4.4 23.3 1.0
C A:ILE477 4.4 19.8 1.0
HD2 A:ARG558 4.5 23.9 1.0
CA A:HIS473 4.5 19.6 1.0
NE A:ARG558 4.5 20.5 1.0
HG21 A:THR478 4.6 27.9 1.0
HA2 A:GLY471 4.6 24.6 1.0
N A:ASN475 4.6 19.1 1.0
HA A:GLN472 4.7 24.9 1.0
HA A:ILE477 4.7 23.5 1.0
N A:ILE477 4.7 19.5 1.0
CB A:ILE476 4.8 19.1 1.0
HB3 A:HIS473 4.8 23.7 1.0
H A:HIS473 4.8 23.6 1.0
CA A:GLN472 4.8 20.8 1.0
CA A:GLY471 4.8 20.5 1.0
N A:GLN472 4.9 21.2 1.0
CA A:ILE477 4.9 19.6 1.0
O A:ILE477 4.9 20.4 1.0
CD A:ARG558 4.9 19.9 1.0
HH21 A:ARG558 5.0 26.6 1.0

Reference:

R.M.Miller, V.O.Paavilainen, S.Krishnan, I.M.Serafimova, J.Taunton. Electrophilic Fragment-Based Design of Reversible Covalent Kinase Inhibitors. J.Am.Chem.Soc. V. 135 5298 2013.
ISSN: ISSN 0002-7863
PubMed: 23540679
DOI: 10.1021/JA401221B
Page generated: Mon Oct 7 16:18:22 2024

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