8EY0

Structure of an orthogonal PYR1*:HAB1* chemical-induced dimerization module in complex with mandipropamid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	Protein phosphatase 2C 16	polymer	333	36901.3	1	UniProt (Q9CAJ0) Pfam (PF00481) In PDB	Arabidopsis thaliana (thale cress)	AtPP2C16,AtP2C-HA,Protein HYPERSENSITIVE TO ABA 1,Protein phosphatase 2C HAB1,PP2C HAB1
2	A	Abscisic acid receptor PYR1	polymer	181	20614.3	1	UniProt (O49686) Pfam (PF03364) In PDB	Arabidopsis thaliana (thale cress)	ABI1-binding protein 6,Protein PYRABACTIN RESISTANCE 1,Regulatory components of ABA receptor 11
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	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)
5		water	water		18.0	106	Chemie (HOH)

Sequence modifications

B: 179 - 511 (UniProt: Q9CAJ0)

PDB	External Database	Details
Ala 199	Arg 199	conflict
Ala 204	Asp 204	conflict
Asp 322	Ser 322	conflict
Arg 393	Val 393	conflict
Ala 510	Arg 510	conflict

A: 1 - 181 (UniProt: O49686)

PDB	External Database	Details
His 58	Tyr 58	conflict
Arg 59	Lys 59	conflict
Ile 81	Val 81	conflict
Ala 108	Phe 108	conflict
Gly 122	Ser 122	conflict
Ile 158	Met 158	conflict
Val 159	Phe 159	conflict
Val 160	Ala 160	conflict
Asp 162	Thr 162	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57515.5
Non-Polymers*	Number of molecules	3
	Total formula weight	596.1
All*	Total formula weight	58111.6

*Water molecules are not included.