3L95

Crystal structure of the human Notch1 Negative Regulatory Region (NRR) bound to the fab fragment of an antagonist antibody

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, L)	anti-NRR1 fab fragment light chain	polymer	214	23337.9	2		Homo sapiens
2	B, E (B, H)	anti-NRR1 fab fragment heavy chain	polymer	227	24241.1	2		Homo sapiens
3	C, F (X, Y)	Neurogenic locus notch homolog protein 1	polymer	244	27101.0	2	UniProt (P46531) Pfam (PF00066) Pfam (PF06816) Pfam (PF07684)	Homo sapiens (human)	Notch 1, hN1, Translocation-associated notch protein TAN-1, Notch 1 extracellular truncation, Notch 1 intracellular domain
4	G (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	H (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	I, J, K, L, M... (X, Y)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
7	O, P, Q, R, S... (A, B, X, L, H...)	water	water		18.0	81	Chemie (HOH)

Sequence modifications

X, Y: 1449 - 1622 (UniProt: P46531)
X, Y: 1671 - 1729 (UniProt: P46531)

PDB	External Database	Details
Ala 1730	-	expression tag
Asn 1731	-	expression tag
Ser 1732	-	expression tag
His 1733	-	expression tag
His 1734	-	expression tag
His 1735	-	expression tag
His 1737	-	expression tag
His 1738	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	149359.9
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	7
	Total formula weight	336.5
All*	Total formula weight	150120.8

*Water molecules are not included.