8CZZ

Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E, I (A, E, I)	CRF01_AE T/F100 HIV-1 gp120	polymer	486	54784.2	3	UniProt (A0A6C0ZY47) Pfam (PF00516) UniProt (by SIFTS) (A0A140EMT3)	Human immunodeficiency virus 1
2	B, F, J (B, F, J)	CRF-1_AE T/F100 HIV-1 gp41	polymer	155	17389.8	3	UniProt (A0A6C0ZY47) Pfam (PF00517) UniProt (by SIFTS) (A0A2R8G1F7)	Human immunodeficiency virus 1	Env polyprotein
3	C, G, K (C, G, K)	Heavy chain of 8ANC195 Fab	polymer	238	25324.4	3		Homo sapiens (Human)
4	D, H, L (D, H, L)	Light chain of 8ANC195 Fab	polymer	215	23460.0	3		Homo sapiens (Human)
5	M, O, Q (M, O, Q)	Heavy chain of 10-1074 Fab	polymer	238	25661.7	3		Homo sapiens (Human)
6	N, P, R (N, P, R)	Light chain of 10-1074 Fab	polymer	214	23180.8	3		Homo sapiens (Human)
7	JA, S (j, S)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1559.4	2	In PDB GlyTouCan (G04414GO)
8	BA, KA, T (b, k, T)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	3	In PDB GlyTouCan (G56014GC)
9	DA, NA, U (d, n, U)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		830.8	3	In PDB GlyTouCan (G01361SX)
10	CA, EA, FA, GA, LA... (c, e, f, g, l...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	12	In PDB GlyTouCan (G42666HT)
11	HA, IA, RA, Y, Z (h, i, r, Y, Z)	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)
12	AA (a)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1721.5	1	In PDB GlyTouCan (G40702WU)
13	SA (s)	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		748.7	1	In PDB GlyTouCan (G81315DD)
14	LB, TA, YB (E, A, I)	1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione	non-polymer		473.5	3	Chemie (83J)
15	AB, AC, BB, BC, CB... (A, J, B, K, C...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	34	Chemie (NAG)

Sequence modifications

A, E, I: 30 - 507 (UniProt: A0A6C0ZY47)

PDB	External Database	Details
Tyr 61	His 60	engineered mutation
His 105	Gln 104	engineered mutation
Ile 108	Val 107	engineered mutation
Ser 375	His 381	conflict
Asp 474	Asn 475	engineered mutation
Met 475	Ile 476	engineered mutation
Arg 476	Lys 477	engineered mutation
Cys 501	Ala 502	conflict
Arg 508	-	expression tag
Arg 509	-	expression tag
Arg 510	-	expression tag
Arg 511	-	expression tag
Arg 512	-	expression tag
Arg 513	-	expression tag

B, F, J: 512 - 664 (UniProt: A0A6C0ZY47)

PDB	External Database	Details
Pro 559	Ile 560	conflict
Cys 605	Thr 606	conflict
Ala 665	-	expression tag
Ala 666	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	509402.6
Branched	Number of molecules	27
	Total formula weight	19325.8
Non-Polymers*	Number of molecules	37
	Total formula weight	8941.5
All*	Total formula weight	537669.8

*Water molecules are not included.