9YML

RRr20_wk72_07 Fab in complex with BG505 MD39 SOSIP and RM20A3 Fab

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 (G, J, O)	RM20A3 Fab heavy chain	polymer	229	24194.1	3		Macaca mulatta (Rhesus monkey)
2	B, H, N (H, K, P)	RRr20_wk72_07 Fab heavy chain	polymer	234	24736.8	3		Macaca mulatta (Rhesus monkey)
3	C, I, O (I, M, Q)	RM20A3 light chain	polymer	215	22827.2	3		Macaca mulatta (Rhesus monkey)
4	D, J, P (L, N, R)	RRr20_wk72_07 light chain	polymer	214	22950.4	3		Macaca mulatta (Rhesus monkey)
5	E, K, Q (A, C, E)	BG505 MD39 SOSIP gp120	polymer	513	57652.6	3	UniProt (Q2N0S6)	Human immunodeficiency virus 1
6	F, L, R (B, D, F)	BG505 MD39 SOSIP gp41	polymer	153	17134.3	3	UniProt (Q2N0S6)	Human immunodeficiency virus 1
7	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)
8	DA, NA, T (d, n, T)	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	3	In PDB GlyTouCan (G55220VL)
9	HA, RA, X (h, r, X)	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	3	In PDB GlyTouCan (G22573RC)
10	AB, BB, CB, DB, EB... (A, B, C, D, E...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	30	Chemie (NAG) PubChem (24139)

Sequence modifications

A, C, E: 31 - 508 (UniProt: Q2N0S6)

PDB	External Database	Details
Met -1	-	expression tag
Lys 0	-	expression tag
Arg 1	-	expression tag
Gly 2	-	expression tag
Leu 3	-	expression tag
Cys 4	-	expression tag
Cys 5	-	expression tag
Val 6	-	expression tag
Leu 7	-	expression tag
Leu 8	-	expression tag
Leu 9	-	expression tag
Cys 10	-	expression tag
Gly 11	-	expression tag
Ala 12	-	expression tag
Val 13	-	expression tag
Phe 14	-	expression tag
Val 15	-	expression tag
Ser 16	-	expression tag
Pro 17	-	expression tag
Ser 18	-	expression tag
Gln 19	-	expression tag
Glu 20	-	expression tag
Ile 21	-	expression tag
His 22	-	expression tag
Ala 23	-	expression tag
Arg 24	-	expression tag
Phe 25	-	expression tag
Arg 26	-	expression tag
Arg 27	-	expression tag
Gly 28	-	expression tag
Ala 29	-	expression tag
Arg 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	-	expression tag
Arg 510	-	expression tag
Arg 511	-	expression tag
Arg 512	-	expression tag
Arg 513	-	expression tag

B, D, F: 512 - 664 (UniProt: Q2N0S6)

PDB	External Database	Details
Ser 519	Phe 516	engineered mutation
Pro 559	Ile 556	engineered mutation
Pro 561	Ala 558	engineered mutation
Asp 568	Leu 565	engineered mutation
His 570	Val 567	engineered mutation
His 585	Arg 582	engineered mutation
Cys 605	Thr 602	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	508486.3
Branched	Number of molecules	30
	Total formula weight	16137.0
Non-Polymers*	Number of molecules	30
	Total formula weight	6636.2
All*	Total formula weight	531259.5

*Water molecules are not included.