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Chlorine in PDB 5mrp: Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2)

Enzymatic activity of Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2)

All present enzymatic activity of Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2):
2.7.7.60;

Protein crystallography data

The structure of Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2), PDB code: 5mrp was solved by A.Schwab, B.Illarionov, A.Frank, A.Kunfermann, M.Seet, A.Bacher, M.Witschel, M.Fischer, M.Groll, F.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.90
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 74.990, 74.990, 221.720, 90.00, 90.00, 120.00
R / Rfree (%) 20.4 / 23.5

Other elements in 5mrp:

The structure of Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2) also contains other interesting chemical elements:

Cadmium (Cd) 3 atoms
Potassium (K) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2) (pdb code 5mrp). 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 Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2), PDB code: 5mrp:

Chlorine binding site 1 out of 1 in 5mrp

Go back to Chlorine Binding Sites List in 5mrp
Chlorine binding site 1 out of 1 in the Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Arabidopsis Thaliana Ispd GLU258ALA Mutant in Complex with Azolopyrimidine (2) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:49.9
occ:1.00
 CL17 A:6BC401 0.0 49.9 1.0
C16 A:6BC401 1.6 42.5 1.0
N18 A:6BC401 2.5 41.2 1.0
C8 A:6BC401 2.6 38.1 1.0
C9 A:6BC401 3.0 32.5 1.0
C10 A:6BC401 3.6 29.6 1.0
CD1 A:ILE177 3.7 41.6 1.0
CG1 A:ILE177 3.7 35.5 1.0
C4 A:6BC401 3.8 45.2 1.0
NE2 A:GLN238 3.8 39.4 1.0
C11 A:6BC401 3.9 26.1 1.0
C6 A:6BC401 3.9 42.8 1.0
CB A:ILE177 3.9 31.8 1.0
CG2 A:ILE177 4.1 32.6 1.0
CG1 A:VAL161 4.1 36.0 1.0
CD A:GLN238 4.1 38.1 1.0
CB A:GLN238 4.2 28.9 1.0
N5 A:6BC401 4.3 44.4 1.0
OE1 A:GLN238 4.4 41.5 1.0
CD1 A:LEU245 4.5 30.8 1.0
CG2 A:VAL161 4.6 35.5 1.0
C15 A:6BC401 4.7 31.1 1.0
CD2 A:LEU245 4.7 33.3 1.0
CG A:GLN238 4.8 34.2 1.0
NH1 A:ARG157 4.9 38.2 1.0
C12 A:6BC401 5.0 28.8 1.0
O7 A:6BC401 5.0 38.0 1.0
C1 A:6BC401 5.0 48.1 1.0

Reference:

A.Schwab, B.Illarionov, A.Frank, A.Kunfermann, M.Seet, A.Bacher, M.C.Witschel, M.Fischer, M.Groll, F.Diederich. Mechanism of Allosteric Inhibition of the Enzyme Ispd By Three Different Classes of Ligands. Acs Chem. Biol. V. 12 2132 2017.
ISSN: ESSN 1554-8937
PubMed: 28686408
DOI: 10.1021/ACSCHEMBIO.7B00004
Page generated: Sat Jul 12 05:37:05 2025

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