Chlorine in PDB 7k68: Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565, PDB code: 7k68 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) 44.27 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 28.81, 66.48, 44.3, 90, 92.01, 90
R / Rfree (%) 12.7 / 15.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565 (pdb code 7k68). 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 Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565, PDB code: 7k68:

Chlorine binding site 1 out of 1 in 7k68

Go back to Chlorine Binding Sites List in 7k68
Chlorine binding site 1 out of 1 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565


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 Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:15.0
occ:1.00
 ND1 A:HIS56 3.1 11.9 1.0
NH2 A:ARG62 3.1 7.9 0.5
NH1 A:ARG62 3.1 8.9 0.5
O A:HOH484 3.2 21.1 1.0
NH2 A:ARG62 3.3 8.0 0.5
CG A:LYS34 3.4 7.5 0.4
NH1 A:ARG62 3.6 7.2 0.5
CD A:LYS34 3.6 7.2 0.4
CE1 A:HIS56 3.6 11.7 1.0
CD2 A:LEU59 3.6 8.7 1.0
CZ A:ARG62 3.6 8.7 0.5
CZ A:ARG62 3.8 7.2 0.5
CE A:LYS34 3.8 11.1 0.6
CG A:LYS34 3.9 9.5 0.6
CD1 A:LEU30 4.1 13.1 1.0
CE A:LYS34 4.2 7.0 0.4
CG A:HIS56 4.3 10.8 1.0
CD A:PRO60 4.4 8.5 1.0
CD A:LYS34 4.5 10.9 0.6
C11 A:QKJ201 4.7 16.0 0.4
CB A:HIS56 4.7 9.8 1.0
CG A:PRO60 4.8 11.3 1.0
NZ A:LYS34 4.8 7.0 0.4
CE2 A:PHE33 4.8 7.6 1.0
C11 A:QKJ201 4.8 16.4 0.6
CB A:LYS34 4.9 8.1 0.4
CD2 A:PHE33 4.9 7.6 1.0
NE2 A:HIS56 4.9 12.2 1.0
CG A:LEU59 4.9 7.2 1.0
O A:HOH435 4.9 17.6 1.0
C12 A:QKJ201 4.9 17.0 0.4
CB A:LEU59 4.9 7.4 1.0
NE A:ARG62 5.0 9.7 0.5
C12 A:QKJ201 5.0 17.5 0.6

Reference:

J.Abendroth, D.M.Dranow, V.Santhakumar, C.Walpole, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001565 To Be Published.
Page generated: Mon Jul 29 23:23:23 2024

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