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Chlorine in PDB 3k3b: Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline

Protein crystallography data

The structure of Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline, PDB code: 3k3b was solved by D.E.Bussiere, C.Bellamacina, V.Le, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.96 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.970, 92.670, 102.950, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 24.3

Other elements in 3k3b:

The structure of Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline (pdb code 3k3b). 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 Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline, PDB code: 3k3b:

Chlorine binding site 1 out of 1 in 3k3b

Go back to Chlorine Binding Sites List in 3k3b
Chlorine binding site 1 out of 1 in the Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Crystal Structure of the Human Kinesin EG5 with A Novel Tetrahydro- Beta-Carboline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl373

b:87.2
occ:1.00
O A:HOH425 3.4 58.5 1.0
CD2 A:LEU360 3.8 70.9 1.0
N A:ASN361 3.9 66.2 1.0
CG A:ASN361 4.1 56.9 1.0
O A:HOH385 4.2 47.8 1.0
ND2 A:ASN361 4.2 57.2 1.0
NE2 A:HIS354 4.3 59.7 1.0
CB A:ASN361 4.3 62.6 1.0
OD1 A:ASN361 4.3 55.3 1.0
CA A:LEU360 4.4 58.5 1.0
CE1 A:HIS354 4.5 55.4 1.0
O A:ILE359 4.7 54.7 1.0
C A:LEU360 4.7 66.1 1.0
CA A:ASN361 4.7 63.4 1.0
CB A:LEU360 4.9 60.9 1.0

Reference:

P.A.Barsanti, W.Wang, Z.J.Ni, D.Duhl, N.Brammeier, E.Martin, D.Bussiere, A.O.Walter. The Discovery of Tetrahydro-Beta-Carbolines As Inhibitors of the Kinesin EG5. Bioorg.Med.Chem.Lett. V. 20 157 2010.
ISSN: ISSN 0960-894X
PubMed: 19945875
DOI: 10.1016/J.BMCL.2009.11.012
Page generated: Sat Dec 12 09:50:14 2020

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