4MM7

Crystal structure of LeuBAT (delta13 mutant) in complex with desvenlafaxine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Transporter	polymer	519	57988.3	1	UniProt (O67854) Pfam (PF00209)	Aquifex aeolicus
2	B, C (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3	D (A)	4-[(1R)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol	non-polymer		263.4	1	Chemie (29J)
4	E (A)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 1 - 513 (UniProt: O67854)

PDB	External Database	Details
Tyr 21	Asn 21	engineered mutation
Asp 24	Gly 24	engineered mutation
Ser 106	Ile 106	engineered mutation
Ser 254	Thr 254	engineered mutation
Gly 256	Ser 256	engineered mutation
Val 261	Ala 261	engineered mutation
Leu 262	Ile 262	engineered mutation
Phe 265	Tyr 265	engineered mutation
Ser 290	Glu 290	engineered mutation
Gly 359	Ile 359	engineered mutation
Gly 362	Pro 362	engineered mutation
Thr 408	Gly 408	engineered mutation
Gly 409	Thr 409	engineered mutation
Gly 514	-	expression tag
Thr 515	-	expression tag
Leu 516	-	expression tag
Val 517	-	expression tag
Pro 518	-	expression tag
Arg 519	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	57988.3
Non-Polymers*	Number of molecules	3
	Total formula weight	309.4
All*	Total formula weight	58297.6

*Water molecules are not included.