6UTK

Crystal structure of 438-B11 Fab in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22 at 3.80 Angstrom

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	D	35O22 Fab Heavy Chain	polymer	243	26171.5	1		Homo sapiens (Human)
2	E	35O22 Fab Light Chain	polymer	216	23318.8	1		Homo sapiens (Human)
3	L	B11 Fab Light Chain	polymer	213	23212.7	1		Homo sapiens (Human)
4	G	Envelope glycoprotein gp120	polymer	485	53737.6	1	UniProt (Q2N0S6) Pfam (PF00516) In PDB	Human immunodeficiency virus 1 (HIV-1)
5	T	Envelope glycoprotein gp41	polymer	140	15702.7	1	UniProt (Q2N0S9) Pfam (PF00517) In PDB	Human immunodeficiency virus 1 (HIV-1)
6	H	B11 Fab Heavy chain	polymer	233	25029.4	1		Homo sapiens (Human)
7	A, I, P, Q, U	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)
8	B	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)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1721.5	1	In PDB GlyTouCan (G15494PG)
9	C, F, O	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
10	J, M	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	2	In PDB GlyTouCan (G81315DD)
11	K	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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		1883.7	1	In PDB GlyTouCan (G60230HH)
12	N	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[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		1073.0	1	In PDB GlyTouCan (G09724ZC)
13	R	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[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		1235.1	1	In PDB GlyTouCan (G55220VL)
14	S	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	1	In PDB GlyTouCan (G22768VO)
15	V	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G79924RM)
16	G, T	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)

Sequence modifications

G: 31 - 506 (UniProt: Q2N0S6)

PDB	External Database	Details
Asp 62	Glu 61	conflict
Asn 332	Thr 330	conflict
Cys 501	Ala 498	conflict
Gly 507	-	expression tag
Gly 508	-	expression tag
Gly 509	-	expression tag
Gly 510	-	expression tag
Gly 511	-	expression tag
Ser 512	-	expression tag
Gly 513	-	expression tag
Gly 514	-	expression tag
Gly 515	-	expression tag
Gly 516	-	expression tag
Ser 517	-	expression tag

T: 512 - 547 (UniProt: Q2N0S9)
T: 569 - 664 (UniProt: Q2N0S9)

PDB	External Database	Details
Asn 547	-	linker
Pro 547	-	linker
Asp 547	-	linker
Trp 547	-	linker
Leu 547	-	linker
Pro 547	-	linker
Asp 547	-	linker
Met 547	-	linker
Cys 605	Thr 604	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	167172.8
Branched	Number of molecules	16
	Total formula weight	12951.8
Non-Polymers*	Number of molecules	8
	Total formula weight	1769.7
All*	Total formula weight	181894.3

*Water molecules are not included.