2A85

Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase in complex with its substrate 2-hydroxyoctanoate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	L(+)-mandelate dehydrogenase	polymer	380	42146.3	1	UniProt (P20932) UniProt (P05414) Pfam (PF01070)	Pseudomonas putida	S-mandelate dehydrogenase, MDH
2	B (A)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
3	C (A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
4	D (A)	(2S)-2-HYDROXYOCTANOIC ACID	non-polymer		160.2	1	Chemie (HOC)
5	E (A)	water	water		18.0	126	Chemie (HOH)

Sequence modifications

A: 1 - 176 (UniProt: P20932)

PDB	External Database	Details
Ala 81	Gly 81	engineered mutation
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag
His 379	-	expression tag
His 380	-	expression tag

A: 197 - 374 (UniProt: P20932)
A: 177 - 196 (UniProt: P05414)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42146.3
Non-Polymers*	Number of molecules	3
	Total formula weight	811.8
All*	Total formula weight	42958.1

*Water molecules are not included.