Atomistry » Fluorine » PDB 5sb0-5sjo » 5sd1
Atomistry »
  Fluorine »
    PDB 5sb0-5sjo »
      5sd1 »

Fluorine in PDB 5sd1: Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer)

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer)

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer):
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer), PDB code: 5sd1 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.15 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 29.45, 67.32, 72.29, 90, 90, 90
R / Rfree (%) 14.8 / 21.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer) (pdb code 5sd1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer), PDB code: 5sd1:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 5sd1

Go back to Fluorine Binding Sites List in 5sd1
Fluorine binding site 1 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:32.0
occ:0.63
 F25 A:I6J202 0.0 32.0 0.6
F25 A:I6J202 1.0 27.1 0.4
C24 A:I6J202 1.2 29.7 0.4
C24 A:I6J202 1.4 29.2 0.6
F26 A:I6J202 1.8 31.7 0.4
F26 A:I6J202 2.2 30.6 0.6
C23 A:I6J202 2.4 28.2 0.6
C23 A:I6J202 2.6 27.6 0.4
C27 A:I6J202 2.6 27.0 0.6
NH2 A:ARG32 2.8 40.4 1.0
O29 A:I6J202 2.9 15.9 0.6
O29 A:I6J202 3.3 28.6 0.4
O28 A:I6J202 3.3 34.1 0.6
CG A:ARG32 3.4 20.4 1.0
C22 A:I6J202 3.5 27.4 0.6
C27 A:I6J202 3.5 26.3 0.4
O A:GLN28 3.5 16.8 1.0
CZ A:ARG32 3.6 39.1 1.0
C22 A:I6J202 3.6 24.9 0.4
CD A:ARG32 3.7 28.1 1.0
CB A:GLN28 3.8 17.1 1.0
NE A:ARG32 3.9 40.3 1.0
CA A:GLN28 4.0 15.6 1.0
C A:GLN28 4.1 14.0 1.0
O A:HOH405 4.1 32.0 1.0
CD2 A:PHE31 4.1 12.2 1.0
C21 A:I6J202 4.3 25.4 0.6
NE2 A:GLN28 4.3 34.3 1.0
NH1 A:ARG32 4.5 49.1 1.0
CG A:GLN28 4.5 21.6 1.0
C20 A:I6J202 4.6 30.2 0.6
CB A:ARG32 4.7 14.6 1.0
O28 A:I6J202 4.7 25.6 0.4
CE2 A:PHE31 4.7 13.1 1.0
C01 A:I6J202 4.8 19.0 0.6
C01 A:I6J202 4.9 18.4 0.4
N A:ARG32 4.9 10.5 1.0
CD A:GLN28 4.9 30.5 1.0

Fluorine binding site 2 out of 4 in 5sd1

Go back to Fluorine Binding Sites List in 5sd1
Fluorine binding site 2 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:27.1
occ:0.37
 F25 A:I6J202 0.0 27.1 0.4
F25 A:I6J202 1.0 32.0 0.6
C24 A:I6J202 1.0 29.2 0.6
C24 A:I6J202 1.4 29.7 0.4
F26 A:I6J202 2.0 30.6 0.6
C23 A:I6J202 2.2 28.2 0.6
F26 A:I6J202 2.2 31.7 0.4
C23 A:I6J202 2.4 27.6 0.4
C27 A:I6J202 2.8 27.0 0.6
O29 A:I6J202 2.8 15.9 0.6
CD2 A:PHE31 3.2 12.2 1.0
O A:GLN28 3.3 16.8 1.0
O29 A:I6J202 3.4 28.6 0.4
C22 A:I6J202 3.4 24.9 0.4
C22 A:I6J202 3.5 27.4 0.6
C27 A:I6J202 3.5 26.3 0.4
CG A:ARG32 3.7 20.4 1.0
O28 A:I6J202 3.7 34.1 0.6
NH2 A:ARG32 3.7 40.4 1.0
CA A:GLN28 3.8 15.6 1.0
CB A:GLN28 3.8 17.1 1.0
C A:GLN28 3.9 14.0 1.0
CE2 A:PHE31 3.9 13.1 1.0
C01 A:I6J202 4.1 19.0 0.6
C01 A:I6J202 4.1 18.4 0.4
C21 A:I6J202 4.2 25.4 0.6
CG A:PHE31 4.2 16.4 1.0
CD A:ARG32 4.2 28.1 1.0
CB A:PHE31 4.3 10.5 1.0
CZ A:ARG32 4.4 39.1 1.0
N A:ARG32 4.5 10.5 1.0
CG A:GLN28 4.5 21.6 1.0
C20 A:I6J202 4.6 30.2 0.6
NE A:ARG32 4.6 40.3 1.0
O28 A:I6J202 4.7 25.6 0.4
CB A:ARG32 4.7 14.6 1.0
O A:HOH405 4.7 32.0 1.0
NE2 A:GLN28 4.8 34.3 1.0
C21 A:I6J202 4.9 27.1 0.4
CA A:ARG32 5.0 12.6 1.0

Fluorine binding site 3 out of 4 in 5sd1

Go back to Fluorine Binding Sites List in 5sd1
Fluorine binding site 3 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:30.6
occ:0.63
 F26 A:I6J202 0.0 30.6 0.6
F26 A:I6J202 1.4 31.7 0.4
C24 A:I6J202 1.4 29.2 0.6
C24 A:I6J202 1.6 29.7 0.4
C22 A:I6J202 1.9 24.9 0.4
C23 A:I6J202 2.0 27.6 0.4
F25 A:I6J202 2.0 27.1 0.4
F25 A:I6J202 2.2 32.0 0.6
C23 A:I6J202 2.5 28.2 0.6
C21 A:I6J202 2.8 25.4 0.6
C22 A:I6J202 2.8 27.4 0.6
C20 A:I6J202 2.8 30.2 0.6
C01 A:I6J202 3.1 19.0 0.6
C01 A:I6J202 3.2 18.4 0.4
CG A:GLN28 3.2 21.6 1.0
CB A:GLN28 3.3 17.1 1.0
C21 A:I6J202 3.4 27.1 0.4
NE2 A:GLN28 3.4 34.3 1.0
C27 A:I6J202 3.5 26.3 0.4
CD A:GLN28 3.5 30.5 1.0
C16 A:I6J202 3.7 22.7 0.6
CA A:GLN28 3.7 15.6 1.0
C27 A:I6J202 3.7 27.0 0.6
C19 A:I6J202 3.7 24.6 0.6
O29 A:I6J202 4.0 28.6 0.4
C20 A:I6J202 4.2 26.6 0.4
O28 A:I6J202 4.3 25.6 0.4
O15 A:I6J202 4.3 23.8 0.4
O28 A:I6J202 4.3 34.1 0.6
O29 A:I6J202 4.3 15.9 0.6
C16 A:I6J202 4.4 22.6 0.4
C17 A:I6J202 4.4 22.0 0.6
O15 A:I6J202 4.4 22.3 0.6
OE1 A:GLN28 4.4 34.7 1.0
C18 A:I6J202 4.4 23.6 0.6
O A:GLN28 4.4 16.8 1.0
C02 A:I6J202 4.5 13.9 0.4
NH2 A:ARG32 4.5 40.4 1.0
CD2 A:PHE31 4.5 12.2 1.0
C A:GLN28 4.5 14.0 1.0
C02 A:I6J202 4.6 13.8 0.6
N A:GLN28 4.9 16.9 1.0

Fluorine binding site 4 out of 4 in 5sd1

Go back to Fluorine Binding Sites List in 5sd1
Fluorine binding site 4 out of 4 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:31.7
occ:0.37
 F26 A:I6J202 0.0 31.7 0.4
F26 A:I6J202 1.4 30.6 0.6
C24 A:I6J202 1.4 29.7 0.4
F25 A:I6J202 1.8 32.0 0.6
C24 A:I6J202 1.8 29.2 0.6
F25 A:I6J202 2.2 27.1 0.4
C23 A:I6J202 2.4 27.6 0.4
C22 A:I6J202 2.5 24.9 0.4
C23 A:I6J202 2.8 28.2 0.6
NE2 A:GLN28 2.8 34.3 1.0
C22 A:I6J202 3.0 27.4 0.6
C20 A:I6J202 3.1 30.2 0.6
CB A:GLN28 3.2 17.1 1.0
C21 A:I6J202 3.3 25.4 0.6
NH2 A:ARG32 3.3 40.4 1.0
CD A:GLN28 3.4 30.5 1.0
CG A:GLN28 3.5 21.6 1.0
C27 A:I6J202 3.5 27.0 0.6
C27 A:I6J202 3.6 26.3 0.4
O28 A:I6J202 3.9 34.1 0.6
O29 A:I6J202 3.9 28.6 0.4
C21 A:I6J202 3.9 27.1 0.4
CA A:GLN28 4.1 15.6 1.0
C19 A:I6J202 4.1 24.6 0.6
O29 A:I6J202 4.3 15.9 0.6
C20 A:I6J202 4.3 26.6 0.4
OE1 A:GLN28 4.4 34.7 1.0
O28 A:I6J202 4.4 25.6 0.4
CZ A:ARG32 4.4 39.1 1.0
O A:HOH405 4.4 32.0 1.0
C01 A:I6J202 4.4 19.0 0.6
C01 A:I6J202 4.5 18.4 0.4
C16 A:I6J202 4.5 22.7 0.6
O A:GLN28 4.5 16.8 1.0
C A:GLN28 4.6 14.0 1.0

Reference:

S.J.Mayclin, J.W.Fairman, D.M.Dranow, D.G.Conrady, D.Fox Iii, C.M.Lukacs, D.D.Lorimer, P.S.Horanyi, T.E.Edwards, J.Abendroth. Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1235 (Enantiomer) To Be Published.
Page generated: Thu Aug 1 14:12:31 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy