9CU5

LJF-085 Fab in complex with HIV Env JRFL NFL TD CC3+ trimer and 35O22 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E (D, F, J)	35O22 heavy chain Fv	polymer	131	14543.4	3		Homo sapiens (human)
2	B, D, F (E, G, K)	35O22 light chain Fv	polymer	114	12400.7	3		Homo sapiens (human)
3	G, I (H, I)	LJF-085 heavy chain Fv	polymer	123	13593.1	2		Macaca mulatta
4	H, J (L, M)	LJF-085 light chain Fv	polymer	107	11850.2	2		Macaca mulatta
5	K, L, M (C, B, A)	HIV Env JRFL NFL TD CC3+ gp140	polymer	649	72573.2	3	UniProt (Q75760) Pfam (PF00516) Pfam (PF00517)	Human immunodeficiency virus 1	Env polyprotein
6	N, Q, U (N, Q, U)	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	3	In PDB GlyTouCan (G22768VO)
7	O, R, S, V (O, R, S, V)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
8	P (P)	alpha-D-mannopyranose-(1-2)-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		910.8	1	In PDB GlyTouCan (G42227JK)
9	T (T)	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-(1-6)]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		1721.5	1	In PDB GlyTouCan (G91704UR)
10	W (W)	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)
11	AA, AB, BA, BB, CA... (C, A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	36	Chemie (NAG)

Sequence modifications

C, B, A: 31 - 664 (UniProt: Q75760)

PDB	External Database	Details
Asp 47	Glu 46	engineered mutation
Glu 49	Thr 48	engineered mutation
Lys 65	Val 64	engineered mutation
Thr 106	Glu 105	engineered mutation
Glu 164	Ser 161	engineered mutation
Leu 165	Ile 162	engineered mutation
Lys 168	Glu 165	engineered mutation
Val 172	Glu 169	engineered mutation
Tyr 302	Asn 299	engineered mutation
Arg 308	His 305	engineered mutation
Met 320	Thr 315	engineered mutation
Arg 429	Glu 420	engineered mutation
Gln 432	Lys 423	engineered mutation
Arg 500	Lys 491	engineered mutation
Cys 501	Ala 492	engineered mutation
Gly 505	-	insertion
Gly 505	-	insertion
Gly 505	-	insertion
Gly 505	-	insertion
Ser 505	-	insertion
Gly 505	-	insertion
Gly 505	Arg 499	engineered mutation
Gly 505	Glu 500	engineered mutation
Gly 505	Lys 501	engineered mutation
Ser 505	Arg 502	engineered mutation
Arg 519	Phe 510	engineered mutation
Arg 520	Leu 511	engineered mutation
Asn 543	Leu 534	engineered mutation
Pro 551	Gln 542	engineered mutation
Ser 553	Asn 544	engineered mutation
Pro 559	Ile 550	engineered mutation
Gly 569	Thr 560	engineered mutation
Arg 588	Gly 579	engineered mutation
Cys 662	Glu 653	engineered mutation
Gly 665	-	expression tag
Gly 666	-	expression tag
Gly 667	-	expression tag
Gly 668	-	expression tag
Ser 669	-	expression tag
His 670	-	expression tag
His 671	-	expression tag
His 672	-	expression tag
His 673	-	expression tag
His 674	-	expression tag
His 675	-	expression tag
His 676	-	expression tag
His 677	-	expression tag
Gly 678	-	expression tag
Ser 679	-	expression tag
Gly 680	-	expression tag
Cys 681	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	13
	Total formula weight	349438.5
Branched	Number of molecules	10
	Total formula weight	7811.1
Non-Polymers*	Number of molecules	36
	Total formula weight	7963.5
All*	Total formula weight	365213.1

*Water molecules are not included.