9PIT

HIV-1 bnAb 1-23 in complex with BG505 MD39 SOSIP and RM19R

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, G, M (L, Q, R)	1-23 light chain Fv	polymer	109	11722.1	3		Homo sapiens (human)
2	B, H, N (H, M, N)	1-23 heavy chain Fv	polymer	125	14166.9	3		Homo sapiens (human)
3	C, I, O (B, E, F)	Envelope glycoprotein gp160	polymer	512	57141.0	3	UniProt (Q2N0S5)	Human immunodeficiency virus 1	Env polyprotein
4	D, J, P (G, I, K)	RM19R light chain Fv	polymer	107	11808.1	3		Macaca mulatta
5	E, K, Q (J, O, P)	RM19R heavy chain Fv	polymer	121	13268.7	3		Macaca mulatta
6	F, L, R (A, C, D)	Envelope glycoprotein gp41 - BG505 MD39	polymer	162	18250.5	3	UniProt (Q2N0S8)	Human immunodeficiency virus 1	Env polyprotein
7	DA, OA, S (d, o, S)	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)
8	AA, BA, CA, EA, FA... (a, b, c, e, f...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	24	In PDB GlyTouCan (G42666HT)
9	GA, JA, RA, UA, V... (g, j, r, u, V...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	6	In PDB GlyTouCan (G15407YE)
10	AB, BB, CB, DB, EB... (B, A, E, C, F...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	21	Chemie (NAG)

Sequence modifications

B, E, F: 31 - 513 (UniProt: Q2N0S5)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
Ile 2	-	expression tag
Leu 3	-	expression tag
Pro 4	-	expression tag
Ser 5	-	expression tag
Pro 6	-	expression tag
Gly 7	-	expression tag
Met 8	-	expression tag
Pro 9	-	expression tag
Ala 10	-	expression tag
Leu 11	-	expression tag
Leu 12	-	expression tag
Ser 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Ser 16	-	expression tag
Leu 17	-	expression tag
Leu 18	-	expression tag
Ser 19	-	expression tag
Val 20	-	expression tag
Leu 21	-	expression tag
Leu 22	-	expression tag
Met 23	-	expression tag
Gly 24	-	expression tag
Cys 25	-	expression tag
Val 26	-	expression tag
Ala 27	-	expression tag
Glu 28	-	expression tag
Thr 29	-	expression tag
Gly 30	-	expression tag
Glu 106	Thr 105	engineered mutation
Ile 271	Met 270	engineered mutation
Leu 288	Phe 287	engineered mutation
Val 304	Arg 303	engineered mutation
Tyr 319	Ala 316	engineered mutation
Asn 332	Thr 330	engineered mutation
Gln 363	Asn 361	engineered mutation
Cys 501	Ala 498	engineered mutation
Arg 509	Glu 506	engineered mutation
Arg 510	Lys 507	engineered mutation
Arg 512	Ala 509	engineered mutation
Arg 513	Val 510	engineered mutation

A, C, D: 512 - 664 (UniProt: Q2N0S8)

PDB	External Database	Details
Ser 519	Phe 518	engineered mutation
Pro 559	Ile 558	engineered mutation
Pro 561	Ala 560	engineered mutation
Asp 568	Leu 567	engineered mutation
His 570	Val 569	engineered mutation
His 585	Arg 584	engineered mutation
Cys 605	Thr 604	engineered mutation
Gly 665	-	expression tag
Thr 666	-	expression tag
Lys 667	-	expression tag
His 668	-	expression tag
His 669	-	expression tag
His 670	-	expression tag
His 671	-	expression tag
His 672	-	expression tag
His 673	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	379072.2
Branched	Number of molecules	33
	Total formula weight	16923.8
Non-Polymers*	Number of molecules	21
	Total formula weight	4645.4
All*	Total formula weight	400641.3

*Water molecules are not included.