Fluorine in PDB 5vr7: Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1

Enzymatic activity of Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1

All present enzymatic activity of Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1:
3.1.3.16;

Protein crystallography data

The structure of Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 5vr7 was solved by M.-J.Cao, Y.-L.Zhang, X.Liu, H.Huang, X.E.Zhou, W.-L.Wang, A.Zeng, C.-Z.Zhao, T.Si, J.-M.Du, W.-W.Wu, F.-X.Wang, H.E.Xu, J.-K.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	33.66 / 2.61
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	61.175, 67.323, 146.359, 90.00, 90.00, 90.00
*R / R_free (%)*	21.7 / 24.6

Other elements in 5vr7:

The structure of Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1 (pdb code 5vr7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 5vr7:

Fluorine binding site 1 out of 1 in 5vr7

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Fluorine Binding Sites List in 5vr7

Fluorine binding site 1 out of 1 in the Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F300 b:54.4 occ:1.00	F1	A:A1F300	0.0	54.4	1.0
	C2	A:A1F300	1.4	54.1	1.0
	C5	A:A1F300	2.4	48.2	1.0
	C1	A:A1F300	2.4	60.0	1.0
	C4	A:A1F300	2.9	59.3	1.0
	CG1	A:VAL169	3.5	32.1	1.0
	C6	A:A1F300	3.7	45.0	1.0
	C3	A:A1F300	3.7	51.5	1.0
	ND2	A:ASN173	3.9	45.0	1.0
	C7	A:A1F300	4.1	46.5	1.0
	NZ	A:LYS64	4.3	62.1	1.0
	OH	A:TYR124	4.5	40.4	1.0
	S	A:A1F300	4.5	0.1	1.0
	CB	A:VAL169	4.6	35.6	1.0
	CG2	A:VAL170	4.7	30.5	1.0
	C10	A:A1F300	4.8	52.5	1.0
	C11	A:A1F300	4.8	50.6	1.0
	CZ	A:TYR124	4.9	41.9	1.0
	C17	A:A1F300	4.9	45.5	1.0
	C12	A:A1F300	5.0	50.4	1.0

Reference:

M.J.Cao, Y.L.Zhang, X.Liu, H.Huang, X.E.Zhou, W.L.Wang, A.Zeng, C.Z.Zhao, T.Si, J.Du, W.W.Wu, F.X.Wang, H.E.Xu, J.K.Zhu. Combining Chemical and Genetic Approaches to Increase Drought Resistance in Plants. Nat Commun V. 8 1183 2017.
ISSN: ESSN 2041-1723
PubMed: 29084945
DOI: 10.1038/S41467-017-01239-3

Page generated: Thu Aug 1 16:15:23 2024

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