6B0N

Crystal structure of the cleavage-independent prefusion HIV Env glycoprotein trimer of the clade A BG505 isolate (NFL construct) in complex with Fabs PGT122 and PGV19 at 3.39 A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (D)	PGV19 Fab heavy chain	polymer	223	24246.4	1		Homo sapiens (Human)
2	B (E)	PGV19 light chain	polymer	209	22219.6	1		Homo sapiens (Human)
3	C (G)	Envelope glycoprotein gp140	polymer	638	70846.0	1	UniProt (Q2N0S6) UniProt (Q2N0S9) Pfam (PF00516) Pfam (PF00517)	Human immunodeficiency virus 1	Env polyprotein
4	D (H)	PGT122 Fab heavy chain	polymer	235	25434.7	1		Homo sapiens (Human)
5	E (L)	PGT122 light chain	polymer	213	22880.3	1		Homo sapiens (Human)
6	F (A)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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		1235.1	1	In PDB GlyTouCan (G07617FP)
7	G, H (B, C)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
8	I (F)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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		1397.2	1	In PDB GlyTouCan (G81980VO)
9	J, O (I, O)	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		910.8	2	In PDB GlyTouCan (G22768VO)
10	K, P, R (J, P, R)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
11	L (K)	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		748.7	1	In PDB GlyTouCan (G22573RC)
12	M (M)	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		1397.2	1	In PDB GlyTouCan (G48018RF)
13	N (N)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose	branched		504.4	1	In PDB GlyTouCan (G25559RS)
14	Q (Q)	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose	branched		666.6	1	In PDB GlyTouCan (G65169RI)
15	S (S)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[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		1397.2	1	In PDB GlyTouCan (G80966KZ)
16	AA, BA, CA, DA, EA... (G)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)
17	GA, V (G)	alpha-D-mannopyranose	non-polymer		180.2	2	Chemie (MAN)

Sequence modifications

G: 31 - 506 (UniProt: Q2N0S6)

PDB	External Database	Details
Asn 332	Thr 330	engineered mutation
Gly 507	-	linker
Gly 508	-	linker
Gly 509	-	linker
Gly 509	-	linker
Gly 509	-	linker
Ser 509	-	linker
Gly 509	-	linker
Gly 509	-	linker
Gly 509	-	linker
Gly 509	-	linker
Ser 511	-	linker

G: 512 - 664 (UniProt: Q2N0S9)

PDB	External Database	Details
Pro 559	Ile 558	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	165627.1
Branched	Number of molecules	14
	Total formula weight	11614.5
Non-Polymers*	Number of molecules	14
	Total formula weight	3014.8
All*	Total formula weight	180256.3

*Water molecules are not included.