Chlorine in PDB 7k6a: Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001575

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001575

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001575:
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-0001575, PDB code: 7k6a 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 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 28.87, 66.65, 44.29, 90, 91.8, 90
R / Rfree (%) 14.6 / 17.8

Other elements in 7k6a:

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor Sddc-0001575 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

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-0001575 (pdb code 7k6a). 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-0001575, PDB code: 7k6a:

Chlorine binding site 1 out of 1 in 7k6a

Go back to Chlorine Binding Sites List in 7k6a
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-0001575


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-0001575 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:15.6
occ:1.00
 O A:HOH398 3.2 18.8 1.0
NH2 A:ARG62 3.2 9.1 1.0
NH1 A:ARG62 3.3 11.9 1.0
CE A:LYS34 3.5 18.5 1.0
CE A:MET38 3.6 12.7 1.0
CZ A:ARG62 3.7 10.3 1.0
F2 A:VYG202 3.7 13.3 1.0
CG A:LYS34 3.8 11.2 1.0
CD A:LYS34 4.2 16.8 1.0
CB A:LYS34 4.3 10.0 1.0
CG A:PRO60 4.3 13.4 1.0
O A:HOH459 4.4 12.5 0.4
F A:VYG202 4.5 12.3 1.0
NZ A:LYS34 4.6 17.7 1.0
C17 A:VYG202 4.6 12.4 1.0
F1 A:VYG202 4.7 12.2 1.0
O A:PRO60 4.9 11.7 1.0

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-0001575 To Be Published.
Page generated: Sat Apr 3 14:40:36 2021

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