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Chlorine in PDB 1yve: Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate)

Enzymatic activity of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate)

All present enzymatic activity of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate):
1.1.1.86;

Protein crystallography data

The structure of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate), PDB code: 1yve was solved by V.Biou, R.Dumas, C.Cohen-Addad, R.Douce, D.Job, E.Pebay-Peyroula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 111.430, 61.940, 162.540, 90.00, 95.08, 90.00
R / Rfree (%) 19.7 / 23.9

Other elements in 1yve:

The structure of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate) also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate) (pdb code 1yve). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate), PDB code: 1yve:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1yve

Go back to Chlorine Binding Sites List in 1yve
Chlorine binding site 1 out of 3 in the Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate) within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl604

b:14.5
occ:1.00
 NE I:ARG259 3.2 9.9 1.0
O I:HOH743 3.4 21.2 1.0
OE1 I:GLN142 3.7 11.2 1.0
NH2 I:ARG259 3.7 13.3 1.0
O I:HOH1023 3.8 35.0 1.0
O I:HOH749 3.9 27.4 1.0
CZ I:ARG259 3.9 11.2 1.0
CG I:ARG259 4.0 9.0 1.0
CD I:ARG259 4.2 9.1 1.0
CG2 I:VAL263 4.3 9.8 1.0
CD I:GLN142 4.4 11.1 1.0
NE2 I:GLN142 4.6 8.9 1.0
O I:HOH742 4.9 18.7 1.0

Chlorine binding site 2 out of 3 in 1yve

Go back to Chlorine Binding Sites List in 1yve
Chlorine binding site 2 out of 3 in the Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate) within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl604

b:27.5
occ:1.00
 O J:HOH607 2.7 34.5 1.0
O J:HOH606 3.3 18.4 1.0
CG J:ARG259 3.6 11.7 1.0
CB J:PHE587 3.7 24.0 1.0
NE J:ARG259 3.8 13.1 1.0
CD J:ARG259 4.3 12.2 1.0
OE1 J:GLN142 4.4 20.6 1.0
CA J:PHE587 4.4 24.4 1.0
NE2 J:GLN142 4.6 21.6 1.0
O J:HOH608 4.7 20.0 1.0
CB J:ARG259 4.8 12.5 1.0
CG J:PHE587 4.9 22.2 1.0
CZ J:ARG259 4.9 12.9 1.0
CD J:GLN142 4.9 19.6 1.0

Chlorine binding site 3 out of 3 in 1yve

Go back to Chlorine Binding Sites List in 1yve
Chlorine binding site 3 out of 3 in the Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Magnesium and Inhibitor Ipoha (N-Hydroxy-N- Isopropyloxamate) within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl604

b:40.4
occ:1.00
 NH2 K:ARG259 3.0 17.5 1.0
NE K:ARG259 3.5 16.9 1.0
CZ K:ARG259 3.7 17.8 1.0
O K:HOH686 3.9 36.1 1.0
CG2 K:VAL263 4.0 16.2 1.0
OE1 K:GLN142 4.3 22.0 1.0
O K:HOH861 4.4 22.1 1.0
CD K:ARG259 4.8 15.8 1.0
O K:HOH683 4.9 30.6 1.0
NH1 K:ARG259 4.9 16.3 1.0

Reference:

V.Biou, R.Dumas, C.Cohen-Addad, R.Douce, D.Job, E.Pebay-Peyroula. The Crystal Structure of Plant Acetohydroxy Acid Isomeroreductase Complexed with Nadph, Two Magnesium Ions and A Herbicidal Transition State Analog Determined at 1.65 A Resolution. Embo J. V. 16 3405 1997.
ISSN: ISSN 0261-4189
PubMed: 9218783
DOI: 10.1093/EMBOJ/16.12.3405
Page generated: Sat Dec 12 08:56:26 2020

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