4WVO

An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Abscisic acid receptor PYR1	polymer	181	20659.3	1	UniProt (O49686) Pfam (PF03364) In PDB	Arabidopsis thaliana (Mouse-ear cress)	ABI1-binding protein 6,Protein PYRABACTIN RESISTANCE 1,Regulatory components of ABA receptor 11
2	B	Protein phosphatase 2C 16	polymer	331	36582.9	1	UniProt (Q9CAJ0) Pfam (PF00481) In PDB	Arabidopsis thaliana (Mouse-ear cress)	AtPP2C16,AtP2C-HA,Protein HYPERSENSITIVE TO ABA 1,Protein phosphatase 2C HAB1,PP2C HAB1
3	A	(2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide	non-polymer		411.9	1	Chemie (3UZ)
4	B	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5		water	water		18.0	192	Chemie (HOH)

Sequence modifications

A: 1 - 181 (UniProt: O49686)

PDB	External Database	Details
Arg 59	Lys 59	engineered mutation
Ile 81	Val 81	engineered mutation
Ala 108	Phe 108	engineered mutation
Leu 159	Phe 159	engineered mutation

B: 178 - 505 (UniProt: Q9CAJ0)

PDB	External Database	Details
Gly 175	-	expression tag
Ala 176	-	expression tag
Met 177	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57242.2
Non-Polymers*	Number of molecules	4
	Total formula weight	484.8
All*	Total formula weight	57727.0

*Water molecules are not included.