9K99

Crystal structure of Setaria viridis SPS complexed with Aclonifen (surface polar residue mutant)

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Solanesyl diphosphate synthase	polymer	324	35388.3	4	UniProt (A0A4U6VI49) Pfam (PF00348)	Setaria viridis
2	E, F (C, D)	Aclonifen	non-polymer		264.7	2	Chemie (A1L38) PubChem (92389)
3	G, H, I (A, B, C)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

A, B, C, D: 105 - 428 (UniProt: A0A4U6VI49)

PDB	External Database	Details
Ala 114	Ser 114	engineered mutation
Leu 169	Ser 169	engineered mutation
Ala 303	Glu 303	engineered mutation
Ala 304	Gln 304	engineered mutation
Gln 358	Glu 358	engineered mutation
Asn 371	Asp 371	engineered mutation
Thr 375	Ala 375	engineered mutation
Glu 378	Asp 378	engineered mutation
Lys 387	Arg 387	engineered mutation
Glu 398	Asp 398	engineered mutation
Ile 399	Leu 399	engineered mutation
Ser 403	Asn 403	engineered mutation
Glu 411	Asp 411	engineered mutation
Ala 417	Glu 417	engineered mutation
Ala 418	Lys 418	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	141553.2
Non-Polymers*	Number of molecules	2
	Total formula weight	529.3
All*	Total formula weight	142082.5

*Water molecules are not included.