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Chlorine in PDB 8vtc: Crystal Structure of Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim

Enzymatic activity of Crystal Structure of Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim

All present enzymatic activity of Crystal Structure of Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim, PDB code: 8vtc was solved by H.Erlandsen, J.Krucinska, D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.56 / 2.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 70.251, 70.251, 73.511, 90, 90, 90
R / Rfree (%) 16.7 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim (pdb code 8vtc). 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 Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim, PDB code: 8vtc:

Chlorine binding site 1 out of 1 in 8vtc

Go back to Chlorine Binding Sites List in 8vtc
Chlorine binding site 1 out of 1 in the Crystal Structure of Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim


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 Mycobacterium Avium Dihydrofolate Reductase in Complex with Nadph and Trimethoprim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:65.9
occ:1.00
 HG13 A:VAL120 3.9 31.1 1.0
OH A:TYR164 4.0 56.6 1.0
OE1 A:GLN12 4.1 27.7 1.0
HE21 A:GLN12 4.1 33.9 1.0
O A:HOH343 4.2 40.2 1.0
HH A:TYR164 4.3 30.0 0.0
CD A:GLN12 4.3 29.3 1.0
O A:HOH315 4.4 28.9 1.0
HE2 A:TYR164 4.4 33.9 1.0
NE2 A:GLN12 4.4 28.9 1.0
NE2 A:HIS162 4.4 29.6 1.0
CD2 A:HIS162 4.5 30.3 1.0
HE2 A:HIS162 4.6 30.0 0.0
CE1 A:HIS162 4.6 31.6 1.0
HD2 A:HIS162 4.7 32.2 1.0
CG1 A:VAL120 4.7 27.5 1.0
HG21 A:VAL120 4.7 31.5 1.0
CG A:HIS162 4.8 30.0 1.0
ND1 A:HIS162 4.8 33.2 1.0
HG12 A:VAL120 4.8 30.7 1.0
HB2 A:GLU122 4.9 32.4 1.0
HB A:VAL120 4.9 31.3 1.0
HE1 A:HIS162 5.0 35.8 1.0
CZ A:TYR164 5.0 55.0 1.0
CE2 A:TYR164 5.0 52.0 1.0

Reference:

L.Wright, J.Krucinska, H.Erlandsen, B.Haijan, M.Cynamon, D.Wright. Long Residence Time Inhibitors of Dihydrofolate Reductase Display Potent Activity Against Mycobacterium Avium. To Be Published.
Page generated: Sun Jul 13 15:23:22 2025

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