8TGO

Crystal structure of the BG505 triple tandem trimer gp140 HIV-1 Env in complex with PGT124 and 35O22

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F, K (B, H, a)	Envelope glycoprotein gp41	polymer	164	17856.0	3	UniProt (Q2N0S6) Pfam (PF00517)	Human immunodeficiency virus 1
2	B, G, L (D, L, b)	35O22 scFv	polymer	286	30339.3	3		Homo sapiens (human)
3	C, H, M (C, P, c)	PGT124 light chain	polymer	214	23056.6	3		Homo sapiens (human)
4	D, I, N (G, R, e)	Envelope glycoprotein gp120	polymer	490	54164.1	3	UniProt (Q2N0S6) Pfam (PF00516)	Human immunodeficiency virus 1
5	E, J, O (O, S, f)	PGT124 heavy chain	polymer	235	25345.4	3		Homo sapiens (human)
6	P (A)	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)
7	AA, DA, EA, GA, IA... (X, g, h, j, l...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	14	In PDB GlyTouCan (G42666HT)
8	BA, CA, JA, KA, R... (Y, Z, m, n, I...)	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)
9	FA, NA, V (i, q, N)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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		1721.5	3	In PDB GlyTouCan (G40702WU)
10	HA, Y (k, V)	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	AB, BB, CB, DB, EB... (H, R, a, e, B...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	31	Chemie (NAG)

Sequence modifications

B, H, a: 512 - 664 (UniProt: Q2N0S6)

PDB	External Database	Details
Ser 519	Phe 516	conflict
Pro 559	Ile 556	conflict
Asp 568	Leu 565	conflict
His 570	Val 567	conflict
His 585	Arg 582	conflict
Cys 605	Thr 602	conflict
Gly 665	-	expression tag
Ser 666	-	expression tag
Gly 667	-	expression tag
Gly 668	-	expression tag
Ser 669	-	expression tag
Gly 670	-	expression tag
Gly 671	-	expression tag
Ser 672	-	expression tag
Gly 673	-	expression tag
Ser 674	-	expression tag
Gly 675	-	expression tag

G, R, e: 31 - 507 (UniProt: Q2N0S6)

PDB	External Database	Details
Lys 64	Glu 63	conflict
Glu 106	Thr 105	conflict
Ile 271	Met 270	conflict
Leu 288	Phe 287	conflict
Val 304	Arg 303	conflict
Trp 316	Ala 313	conflict
Tyr 319	Ala 316	conflict
Asn 332	Thr 330	conflict
Lys 500	Arg 497	conflict
Cys 501	Ala 498	conflict
Gly 508	-	expression tag
Gly 509	-	expression tag
Ser 510	-	expression tag
Gly 511	-	expression tag
Gly 512	-	expression tag
Gly 513	-	expression tag
Gly 514	-	expression tag
Ser 515	-	expression tag
Gly 516	-	expression tag
Gly 517	-	expression tag
Gly 518	-	expression tag
Gly 519	-	expression tag
Ser 520	-	expression tag
Gly 521	-	expression tag
Gly 522	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	15
	Total formula weight	452284.3
Branched	Number of molecules	26
	Total formula weight	17033.6
Non-Polymers*	Number of molecules	31
	Total formula weight	6857.4
All*	Total formula weight	476175.4

*Water molecules are not included.