3SIO

Ac-AChBP ligand binding domain (not including beta 9-10 linker) mutated to human alpha-7 nAChR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Soluble acetylcholine receptor	polymer	230	26238.0	10	UniProt (Q8WSF8) Pfam (PF02931) In PDB	Aplysia californica (California sea hare)
2	K, M, O	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
3	L, P	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	2	In PDB GlyTouCan (G55220VL)
4	N, Q	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	2	In PDB GlyTouCan (G09724ZC)
5	E, F, H, I, J...	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
6	D, E, F, G, H...	METHYLLYCACONITINE	non-polymer		682.8	10	Chemie (MLK)
7	D, G, H, I, B...	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	7	Chemie (MRD)
8	I, C	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
9		water	water		18.0	832	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 1 - 219 (UniProt: Q8WSF8)

PDB	External Database	Details
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
Leu 0	-	expression tag
Tyr 32	Thr 49	engineered mutation
Ser 34	Gly 51	engineered mutation
Ser 36	Thr 53	engineered mutation
Leu 38	Gln 55	engineered mutation
Trp 55	Tyr 72	engineered mutation
Ser 59	Arg 76	engineered mutation
Asn 106	Ile 123	engineered mutation
Leu 108	Val 125	engineered mutation
Asn 110	Thr 127	engineered mutation
Ser 111	His 128	engineered mutation
Ser 112	Asp 129	engineered mutation
His 114	Ser 131	engineered mutation
Gln 116	Met 133	engineered mutation
Tyr 117	Phe 134	engineered mutation
Leu 118	Ile 135	engineered mutation
Ser 148	Val 165	engineered mutation
Gly 150	Ser 167	engineered mutation
Trp 152	Phe 169	engineered mutation
Ser 220	-	expression tag
Arg 221	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	262379.7
Branched	Number of molecules	7
	Total formula weight	5889.3
Non-Polymers*	Number of molecules	26
	Total formula weight	9440.0
All*	Total formula weight	277709.1

*Water molecules are not included.