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 / R_free (%)*	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

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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

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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

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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 Jul 20 04:31:01 2024

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