8F0S

Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sodium channel protein PaFPC1,Sodium channel protein type 9 subunit alpha chimera	polymer	1608	184481.9	1	UniProt (D0E0C2) UniProt (Q15858) Pfam (PF00520) Pfam (PF08016) Pfam (PF16905)	Homo sapiens (human)	PaFPC1,NavPaS,Neuroendocrine sodium channel,hNE-Na,Peripheral sodium channel 1,PN1,Sodium channel protein type IX subunit alpha,Voltage-gated sodium channel subunit alpha Nav1.7
2	B (B)	Beta-diguetoxin-Dc1a	polymer	71	8240.3	1	UniProt (P49126) Pfam (PF17491)	Diguetia canities	Beta-DGTX-Dc1a,Dc1a,Insecticidal toxin DTX9.2
3	C (C)	beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G61217QH)
4	D (D)	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	E, F, G, H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
6	I (A)	5-chloro-4-(cyclopentylmethoxy)-N-(4-{[(1S,2S)-2-(dimethylamino)cyclohexyl]amino}-2-fluorobenzene-1-sulfonyl)-2-fluorobenzamide	non-polymer		570.1	1	Chemie (X80)
7	J (A)	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine	non-polymer		744.0	1	Chemie (PEE)
8	K (A)	CHOLESTEROL HEMISUCCINATE	non-polymer		486.7	1	Chemie (Y01)

Sequence modifications

A: 1 - 1155 (UniProt: D0E0C2)

PDB	External Database	Details
Met -54	-	initiating methionine
Trp -53	-	expression tag
Ser -52	-	expression tag
His -51	-	expression tag
Pro -50	-	expression tag
Gln -49	-	expression tag
Phe -48	-	expression tag
Glu -47	-	expression tag
Lys -46	-	expression tag
Gly -45	-	expression tag
Gly -44	-	expression tag
Gly -43	-	expression tag
Ser -42	-	expression tag
Gly -41	-	expression tag
Gly -40	-	expression tag
Gly -39	-	expression tag
Ser -38	-	expression tag
Gly -37	-	expression tag
Gly -36	-	expression tag
Ser -35	-	expression tag
Ala -34	-	expression tag
Trp -33	-	expression tag
Ser -32	-	expression tag
His -31	-	expression tag
Pro -30	-	expression tag
Gln -29	-	expression tag
Phe -28	-	expression tag
Glu -27	-	expression tag
Lys -26	-	expression tag
Gly -25	-	expression tag
Gly -24	-	expression tag
Ser -23	-	expression tag
Gly -22	-	expression tag
Gly -21	-	expression tag
Asp -20	-	expression tag
Tyr -19	-	expression tag
Lys -18	-	expression tag
Asp -17	-	expression tag
Asp -16	-	expression tag
Asp -15	-	expression tag
Asp -14	-	expression tag
Lys -13	-	expression tag
Gly -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Gly -8	-	expression tag
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag
Ser 270	Phe 270	conflict
Leu 274	Val 274	conflict
Ile 275	Leu 275	conflict
Leu 279	Ile 279	conflict
Phe 280	Tyr 280	conflict
Asn 283	Val 283	conflict
Lys 285	Thr 285	conflict
His 286	Gln 286	conflict

A: 1156 - 1285 (UniProt: Q15858)
A: 1286 - 1553 (UniProt: D0E0C2)
B: 2 - 57 (UniProt: P49126)

PDB	External Database	Details
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	192722.2
Branched	Number of molecules	2
	Total formula weight	1335.2
Non-Polymers*	Number of molecules	7
	Total formula weight	2685.7
All*	Total formula weight	196743.1

*Water molecules are not included.