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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 Dec 12 09:13:17 2020

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