8UTB

Alpha7-nicotinic acetylcholine receptor bound to epibatidine and NS-1738

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 (A, B, C, D, E)	Neuronal acetylcholine receptor subunit alpha-7,Soluble cytochrome b562 fusion	polymer	599	67220.8	5	UniProt (P36544) UniProt (P0ABE7) Pfam (PF02931) Pfam (PF02932) Pfam (PF07361)	Homo sapiens (human)	Cytochrome b-562
2	F, H, J, L, N (F, H, J, L, N)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	5	In PDB GlyTouCan (G42666HT)
3	G, I, K, M, O (G, I, K, M, O)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	5	In PDB GlyTouCan (G15407YE)
4	AA, FA, KA, P, V (C, D, E, A, B)	N-(5-chloro-2-hydroxyphenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]urea	non-polymer		365.1	5	Chemie (XG3)
5	BA, GA, LA, Q, W (C, D, E, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
6	CA, HA, MA, R, X (C, D, E, A, B)	EPIBATIDINE	non-polymer		208.7	5	Chemie (EPJ)
7	DA, IA, NA, S, Y (C, D, E, A, B)	(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en	non-polymer		544.8	5	Chemie (9Z9)
8	EA, JA, T, U, Z (D, E, A, B, C)	(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate	non-polymer		760.1	5	Chemie (POV)
9	OA, PA, QA, RA, SA (A, B, C, D, E)	water	water		18.0	60	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 324 (UniProt: P36544)

PDB	External Database	Details
-	Ser 368	deletion
-	Val 369	deletion
-	Glu 370	deletion
-	Met 371	deletion
-	Ser 372	deletion
-	Ala 373	deletion
-	Val 374	deletion
-	Ala 375	deletion
-	Pro 376	deletion
-	Pro 377	deletion
-	Pro 378	deletion
-	Ala 379	deletion
-	Ser 380	deletion
-	Asn 381	deletion
-	Gly 382	deletion
-	Asn 383	deletion
-	Leu 384	deletion
-	Leu 385	deletion
-	Tyr 386	deletion
-	Ile 387	deletion
-	Gly 388	deletion
-	Phe 389	deletion
-	Arg 390	deletion
-	Gly 391	deletion
-	Leu 392	deletion
-	Asp 393	deletion
-	Gly 394	deletion
-	Val 395	deletion
-	His 396	deletion
-	Cys 397	deletion
-	Val 398	deletion
-	Pro 399	deletion
-	Thr 400	deletion
-	Pro 401	deletion
-	Asp 402	deletion
-	Ser 403	deletion
-	Gly 404	deletion
-	Val 405	deletion
-	Val 406	deletion

A, B, C, D, E: 328 - 479 (UniProt: P36544)

PDB	External Database	Details
Ala 324	-	linker
Gly 324	-	linker
Ala 324	-	linker
Met 324	-	linker
Trp 480	-	expression tag
Ser 481	-	expression tag
His 482	-	expression tag
Pro 483	-	expression tag
Gln 484	-	expression tag
Phe 485	-	expression tag
Glu 486	-	expression tag
Lys 487	-	expression tag
Gly 488	-	linker
Gly 489	-	linker
Gly 490	-	linker
Ser 491	-	linker
Gly 492	-	linker
Gly 493	-	linker
Gly 494	-	linker
Ser 495	-	linker
Gly 496	-	linker
Gly 497	-	linker
Ser 498	-	linker
Ser 499	-	linker
Ala 500	-	linker
Trp 501	-	expression tag
Ser 502	-	expression tag
His 503	-	expression tag
Pro 504	-	expression tag
Gln 505	-	expression tag
Phe 506	-	expression tag
Glu 507	-	expression tag
Lys 508	-	expression tag
Gly 509	-	linker
Ser 510	-	linker
Gly 511	-	linker
Glu 512	-	linker
Gly 513	-	linker
Arg 514	-	linker
Gly 515	-	linker
Ser 516	-	linker
Leu 517	-	linker
Leu 518	-	linker
Thr 519	-	linker
Cys 520	-	linker
Gly 521	-	linker
Asp 522	-	linker
Val 523	-	linker
Glu 524	-	linker
Glu 525	-	linker
Asn 526	-	linker
Pro 527	-	linker
Gly 528	-	linker

A, B, C, D, E: 324 - 328 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 324	Met 29	conflict
Ile 328	His 124	conflict
Leu 328	Arg 128	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	336104.0
Branched	Number of molecules	10
	Total formula weight	5054.7
Non-Polymers*	Number of molecules	25
	Total formula weight	10499.6
All*	Total formula weight	351658.3

*Water molecules are not included.