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Bromine in PDB 8f82: Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845:
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 MAM845, PDB code: 8f82 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural 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) 44.02 / 1.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 28.666, 66.739, 44.025, 90, 90.48, 90
R / Rfree (%) 14.2 / 16.4

Other elements in 8f82:

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845 (pdb code 8f82). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845, PDB code: 8f82:

Bromine binding site 1 out of 1 in 8f82

Go back to Bromine Binding Sites List in 8f82
Bromine binding site 1 out of 1 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br204

b:11.3
occ:1.00
NH1 A:ARG25 3.2 23.0 0.4
N A:LEU26 3.6 10.6 1.0
N A:PRO27 3.9 11.7 1.0
C A:LEU26 3.9 10.5 1.0
CD1 A:LEU30 3.9 9.0 0.4
CZ A:ARG25 4.0 22.2 0.4
F1 A:XJT201 4.0 12.8 1.0
CD A:ARG25 4.0 17.7 0.6
CA A:PRO27 4.1 12.3 1.0
O A:LEU26 4.2 10.1 1.0
CD A:PRO27 4.2 12.9 1.0
CA A:ARG25 4.2 11.8 0.4
CA A:ARG25 4.2 11.5 0.6
CB A:ARG25 4.3 14.6 0.4
CB A:ARG25 4.3 13.9 0.6
C A:ARG25 4.4 11.0 1.0
CA A:LEU26 4.4 11.0 1.0
CG A:PRO27 4.4 13.9 1.0
F3 A:XJT201 4.4 13.0 1.0
C21 A:XJT201 4.5 8.0 1.0
CD2 A:LEU30 4.5 11.1 0.6
CB A:LEU30 4.5 8.5 0.4
O A:HOH301 4.6 35.0 1.0
CB A:LEU30 4.6 9.4 0.6
NH2 A:ARG25 4.7 22.3 0.4
NE A:ARG25 4.7 21.3 0.4
C20 A:XJT201 4.7 11.6 1.0
CD A:ARG25 4.8 19.7 0.4
CB A:PRO27 4.8 13.7 1.0
CG A:ARG25 4.8 16.5 0.6
CG A:LEU30 4.9 9.0 0.4
CG A:ARG25 4.9 17.5 0.4

Reference:

L.Liu, K.P.Battaile, S.Lovell, B.L.Staker. Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Ulcerans AGY99 in Complex with Nadp and Inhibitor MAM845 To Be Published.
Page generated: Thu Jul 11 05:08:45 2024

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