3B3Q

Crystal structure of a synaptic adhesion complex

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)	Nlgn1 protein	polymer	577	64623.4	2	UniProt (Q4KMN5) Pfam (PF00135) UniProt (by SIFTS) (Q99K10)	Mus musculus (house mouse)
2	C, D (E, F)	NRXN1 protein	polymer	197	21457.9	2	UniProt (A4FVB9) Pfam (PF02210) UniProt (by SIFTS) (P58400)	Homo sapiens (human)
3	E, F, G (C, D, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
4	H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	I, J (E, F)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	K, L, M, N (A, B, E, F)	water	water		18.0	1552	Chemie (HOH)

Sequence modifications

A, B: 46 - 635 (UniProt: Q4KMN5)

PDB	External Database	Details
Ala 30	-	expression tag
Asp 31	-	expression tag
Pro 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
His 37	-	expression tag
His 38	-	expression tag
Glu 39	-	expression tag
Asn 40	-	expression tag
Leu 41	-	expression tag
Tyr 42	-	expression tag
Phe 43	-	expression tag
Gln 44	-	expression tag
Gly 45	-	expression tag
Gln 343	Asn 314	engineered mutation

E, F: 81 - 292 (UniProt: A4FVB9)

PDB	External Database	Details
His 73	-	expression tag
Ser 74	-	expression tag
Ala 75	-	expression tag
Phe 76	-	expression tag
Ala 77	-	expression tag
Ala 78	-	expression tag
Asp 79	-	expression tag
Pro 80	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	172162.6
Branched	Number of molecules	3
	Total formula weight	1273.2
Non-Polymers*	Number of molecules	3
	Total formula weight	301.4
All*	Total formula weight	173737.2

*Water molecules are not included.