Atomistry » Chlorine » PDB 1v8f-1vq0 » 1vj3
Atomistry »
  Chlorine »
    PDB 1v8f-1vq0 »
      1vj3 »

Chlorine in PDB 1vj3: Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate.

Enzymatic activity of Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate.

All present enzymatic activity of Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate.:
1.5.1.3;

Protein crystallography data

The structure of Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate., PDB code: 1vj3 was solved by V.Cody, N.Galitsky, D.Rak, J.R.Luft, S.F.Queener, C.A.Laughton, F.G.Malcolm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.481, 43.137, 61.288, 90.00, 94.74, 90.00
R / Rfree (%) n/a / n/a

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate. (pdb code 1vj3). 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 Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate., PDB code: 1vj3:

Chlorine binding site 1 out of 1 in 1vj3

Go back to Chlorine Binding Sites List in 1vj3
Chlorine binding site 1 out of 1 in the Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Studies on Bio-Active Compounds. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:31.2
occ:1.00
CL8 A:TAB300 0.0 31.2 1.0
C2' A:TAB300 1.7 31.3 1.0
OG A:SER64 2.7 22.6 1.0
C3' A:TAB300 2.7 32.2 1.0
C1' A:TAB300 2.8 31.6 1.0
N8' A:TAB300 3.0 31.6 1.0
O A:HOH233 3.5 26.3 1.0
O2D A:NDP207 3.6 24.3 1.0
CG2 A:THR61 4.0 13.5 1.0
CB A:SER64 4.0 23.9 1.0
C4' A:TAB300 4.1 30.8 1.0
C6' A:TAB300 4.1 32.3 1.0
C2D A:NDP207 4.1 23.0 1.0
O A:THR61 4.2 17.3 1.0
N65 A:TAB300 4.4 30.7 1.0
CG1 A:ILE65 4.4 31.4 1.0
CG A:LEU25 4.4 35.2 1.0
C6N A:NDP207 4.5 21.6 1.0
C A:SER64 4.5 27.7 1.0
CD2 A:LEU25 4.5 34.0 1.0
O A:SER64 4.5 28.8 1.0
C19 A:TAB300 4.6 31.9 0.5
C5' A:TAB300 4.6 28.0 1.0
N A:ILE65 4.7 30.4 1.0
N1N A:NDP207 4.7 22.4 1.0
C5N A:NDP207 4.7 21.9 1.0
CA A:THR61 4.8 19.1 1.0
CB A:THR61 4.8 17.2 1.0
CA A:ILE65 4.9 32.2 1.0
C A:THR61 4.9 18.8 1.0
CA A:SER64 5.0 26.2 1.0
C21 A:TAB300 5.0 30.4 0.5

Reference:

V.Cody, D.Chan, N.Galitsky, D.Rak, J.R.Luft, W.Pangborn, S.F.Queener, C.A.Laughton, M.F.Stevens. Structural Studies on Bioactive Compounds. 30. Crystal Structure and Molecular Modeling Studies on the Pneumocystis Carinii Dihydrofolate Reductase Cofactor Complex with Tab, A Highly Selective Antifolate. Biochemistry V. 39 3556 2000.
ISSN: ISSN 0006-2960
PubMed: 10736154
DOI: 10.1021/BI9924563
Page generated: Sat Dec 12 08:51:50 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy