5VDI

Crystal Structure of Human Glycine Receptor alpha-3 Mutant N38Q Bound to AM-3607, Glycine, and Ivermectin

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)	Glycine receptor subunit alpha-3	polymer	362	41871.4	5	UniProt (O75311) Pfam (PF02931) Pfam (PF02932)	Homo sapiens (Human)
2	F, J, N, R, V (A, B, C, D, E)	(3S,3aS,9bS)-2-[(2H-1,3-benzodioxol-5-yl)sulfonyl]-3,5-dimethyl-1,2,3,3a,5,9b-hexahydro-4H-pyrrolo[3,4-c][1,6]naphthyridin-4-one	non-polymer		401.4	5	Chemie (7C6)
3	G, K, O, S, W (A, B, C, D, E)	GLYCINE	non-polymer		75.1	5	Chemie (GLY)
4	H, L, P, T, X (A, B, C, D, E)	(2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside	non-polymer		875.1	5	Chemie (IVM)
5	I, M, Q, U, Y (A, B, C, D, E)	ZINC ION	non-polymer		65.4	5	Chemie (ZN)
6	AA, BA, CA, DA, Z (B, C, D, E, A)	water	water		18.0	116	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 309 (UniProt: O75311)

PDB	External Database	Details
Gln 38	Asn 71	engineered mutation

A, B, C, D, E: 313 - 354 (UniProt: O75311)

PDB	External Database	Details
Ala 310	-	linker
Gly 311	-	linker
Thr 312	-	linker
Trp 355	-	expression tag
Ser 356	-	expression tag
His 357	-	expression tag
Pro 358	-	expression tag
Gln 359	-	expression tag
Phe 360	-	expression tag
Glu 361	-	expression tag
Lys 362	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	209357.1
Non-Polymers*	Number of molecules	20
	Total formula weight	7085.0
All*	Total formula weight	216442.2

*Water molecules are not included.