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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: Thu Jul 10 19:53:10 2025

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