3O31

E81Q mutant of MtNAS in complex with a reaction intermediate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	ThermoNicotianamine Synthase	polymer	296	33603.5	2	UniProt (O26771) Pfam (PF03059)	Methanothermobacter thermautotrophicus str. Delta H
2	C, H (A, B)	N-[(3S)-3-amino-3-carboxypropyl]-L-glutamic acid	non-polymer		248.2	2	Chemie (3O3)
3	D, E, F, G, I... (A, B)	BROMIDE ION	non-polymer		79.9	6	Chemie (BR)
4	K, L (A, B)	water	water		18.0	961	Chemie (HOH)

Sequence modifications

A, B: 2 - 265 (UniProt: O26771)

PDB	External Database	Details
Gln 81	Glu 81	engineered mutation
Lys 266	-	expression tag
Gly 267	-	expression tag
Glu 268	-	expression tag
Leu 269	-	expression tag
Asn 270	-	expression tag
Ser 271	-	expression tag
Lys 272	-	expression tag
Leu 273	-	expression tag
Glu 274	-	expression tag
Gly 275	-	expression tag
Lys 276	-	expression tag
Pro 277	-	expression tag
Ile 278	-	expression tag
Pro 279	-	expression tag
Asn 280	-	expression tag
Pro 281	-	expression tag
Leu 282	-	expression tag
Leu 283	-	expression tag
Gly 284	-	expression tag
Leu 285	-	expression tag
Asp 286	-	expression tag
Ser 287	-	expression tag
Thr 288	-	expression tag
Arg 289	-	expression tag
Thr 290	-	expression tag
Gly 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67206.9
Non-Polymers*	Number of molecules	8
	Total formula weight	975.9
All*	Total formula weight	68182.8

*Water molecules are not included.