8DQ8

The structure of NicA2 variant F104L/A107T/S146I/G317D/H368R/L449V/N462S in complex with N-methylmyosmine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Amine oxidase	polymer	432	47675.9	2	UniProt (F8G0P2) Pfam (PF01593) In PDB	Pseudomonas putida S16
2	A, B	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	non-polymer		162.2	2	Chemie (NCT)
3	A, B	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE	non-polymer		787.6	2	Chemie (FDA)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	603	Chemie (HOH)

Sequence modifications

A, B: 51 - 482 (UniProt: F8G0P2)

PDB	External Database	Details
Leu 104	Phe 104	engineered mutation
Thr 107	Ala 107	engineered mutation
Ile 146	Ser 146	engineered mutation
Asp 317	Gly 317	engineered mutation
Arg 368	His 368	engineered mutation
Val 449	Leu 449	engineered mutation
Ser 462	Asn 462	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95351.7
Non-Polymers*	Number of molecules	6
	Total formula weight	2023.7
All*	Total formula weight	97375.4

*Water molecules are not included.