6MFW

Crystal structure of a 4-domain construct of LgrA in the substrate donation state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Linear gramicidin synthase subunit A	polymer	1210	138057.4	1	UniProt (Q70LM7) Pfam (PF00551) Pfam (PF00501) Pfam (PF13193) Pfam (PF00550) Pfam (PF00668)	Brevibacillus parabrevis
2	B (A)	(2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide	non-polymer		467.4	1	Chemie (JQG)
3	C (A)	N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid	non-polymer		473.4	1	Chemie (FON)
4	D (A)	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	non-polymer		505.2	1	Chemie (APC)
5	E (A)	VALINE	non-polymer		117.1	1	Chemie (VAL)
6	F (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	G (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
8	H (A)	water	water		18.0	179	Chemie (HOH)

Sequence modifications

A: 3 - 1199 (UniProt: Q70LM7)

PDB	External Database	Details
Gly -1	-	expression tag
Ala 0	-	expression tag
Met 1	-	expression tag
Gly 2	-	expression tag
Ala 1200	-	expression tag
Ala 1201	-	expression tag
Ala 1202	-	expression tag
Glu 1203	-	expression tag
Asn 1204	-	expression tag
Leu 1205	-	expression tag
Tyr 1206	-	expression tag
Phe 1207	-	expression tag
Gln 1208	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	138057.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1682.5
All*	Total formula weight	139739.9

*Water molecules are not included.