Atomistry » Chlorine » PDB 2oa1-2ol1 » 2oi4
Atomistry »
  Chlorine »
    PDB 2oa1-2ol1 »
      2oi4 »

Chlorine in PDB 2oi4: Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole

Enzymatic activity of Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole

All present enzymatic activity of Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole, PDB code: 2oi4 was solved by J.Maksimoska, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.54 / 2.20
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 98.104, 98.104, 80.672, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 24.4

Other elements in 2oi4:

The structure of Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole also contains other interesting chemical elements:

Fluorine (F) 1 atom
Ruthenium (Ru) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole (pdb code 2oi4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole, PDB code: 2oi4:

Chlorine binding site 1 out of 1 in 2oi4

Go back to Chlorine Binding Sites List in 2oi4
Chlorine binding site 1 out of 1 in the Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human PIM1 in Complex with Fluorinated Ruthenium Pyridocarbazole within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cl1001

b:34.6
occ:1.00
 O X:HOH2794 3.0 25.1 1.0
NH2 X:ARG73 3.1 48.8 1.0
O1 X:EDO1002 3.1 58.8 1.0
N X:GLU70 3.2 28.6 1.0
CD X:ARG73 3.5 48.8 1.0
CA X:VAL69 3.6 28.8 1.0
CG2 X:VAL69 3.9 29.4 1.0
C X:VAL69 3.9 28.8 1.0
CA X:GLY50 4.0 28.1 1.0
C1 X:EDO1002 4.1 59.9 1.0
CZ X:ARG73 4.1 49.9 1.0
CB X:GLU70 4.1 28.5 1.0
CG X:GLU70 4.2 30.5 1.0
NE X:ARG73 4.3 51.2 1.0
O X:HIS68 4.3 24.1 1.0
CA X:GLU70 4.3 28.4 1.0
CB X:VAL69 4.4 28.4 1.0
OE1 X:GLU70 4.4 36.5 1.0
CD X:GLU70 4.5 36.2 1.0
O X:HOH2716 4.5 16.8 1.0
N X:VAL69 4.6 27.5 1.0
CB X:ARG73 4.6 46.2 1.0
CG X:ARG73 4.7 46.0 1.0
C X:GLY50 4.7 28.5 1.0
C2 X:EDO1002 4.7 62.2 1.0
C X:HIS68 4.8 26.0 1.0
N X:GLY50 4.8 27.9 1.0
N X:SER51 5.0 28.3 1.0

Reference:

N.Pagano, J.Maksimoska, H.Bregman, D.S.Williams, R.D.Webster, F.Xue, E.Meggers. Ruthenium Half-Sandwich Complexes As Protein Kinase Inhibitors: Derivatization of the Pyridocarbazole Pharmacophore Ligand. Org.Biomol.Chem. V. 5 1218 2007.
ISSN: ISSN 1477-0520
PubMed: 17406720
DOI: 10.1039/B700433H
Page generated: Sat Jul 20 09:33:10 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy