7TXD

Cryo-EM structure of BG505 SOSIP HIV-1 Env trimer in complex with CD4 receptor (D1D2) and broadly neutralizing darpin bnD.9

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	Envelope glycoprotein gp120	polymer	481	54064.3	3	UniProt (Q2N0S6) Pfam (PF00516) In PDB	Human immunodeficiency virus 1
2	B, D, F	Envelope glycoprotein gp41	polymer	153	17146.5	3	UniProt (Q2N0S6) Pfam (PF00517) In PDB	Human immunodeficiency virus 1	Env polyprotein
3	G, H, I	T-cell surface glycoprotein CD4	polymer	185	20503.3	3	UniProt (P01730) Pfam (PF00047) Pfam (PF05790) In PDB	Homo sapiens (human)	T-cell surface antigen T4/Leu-3
4	J, K, L	Broadly neutralizing darpin bnd.9	polymer	196	21214.9	3		synthetic construct
5	b, M	alpha-D-mannopyranose-(1-2)-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		1235.1	2	In PDB GlyTouCan (G46836GH)
6	c, e, f, N, P...	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	8	In PDB GlyTouCan (G15407YE)
7	a, d, g, h, O...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	11	In PDB GlyTouCan (G42666HT)
8	V	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)
9	D, E, A, F, B...	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	30	Chemie (NAG)

Sequence modifications

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

PDB	External Database	Details
Asn 332	Thr 330	conflict
Cys 501	Ala 498	conflict
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
Pro 559	Ile 556	conflict
Cys 605	Thr 602	conflict

G, H, I: 1 - 183 (UniProt: P01730)

PDB	External Database	Details
Asn 184	-	expression tag
Thr 185	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	338786.7
Branched	Number of molecules	22
	Total formula weight	12741.8
Non-Polymers*	Number of molecules	30
	Total formula weight	6636.2
All*	Total formula weight	358164.8

*Water molecules are not included.