9ZRZ

Cryo-EM structure of SHIV-elicited CI93-1365 Fab in complex with HIV Env trimer Q23-SCT27

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	CI93-1365 heavy chain	polymer	247	26700.3	1		Macaca mulatta
2	B (B)	CI93-1365 light chain	polymer	214	23142.6	1		Macaca mulatta
3	C, E, G (b, d, f)	Envelope gp120	polymer	503	56731.6	3	UniProt (O55774)	Human immunodeficiency virus	Env polyprotein
4	D, F, H (c, e, g)	Envelope gp41 ectodomain	polymer	153	17205.7	3	UniProt (O55774)	Human immunodeficiency virus	Env polyprotein
5	AA, BA, CA, DA, EA... (U, V, W, X, Y...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	29	In PDB GlyTouCan (G42666HT)
6	IA, J, O, V (i, D, I, 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	4	In PDB GlyTouCan (G15407YE)
7	JA, K, W (j, E, Q)	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)
8	Y (S)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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		1397.2	1	In PDB GlyTouCan (G80966KZ)
9	AB, BB, CB, DB, EB... (b, c, d, e, f...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	32	Chemie (NAG) PubChem (24139)

Sequence modifications

b, d, f: 31 - 507 (UniProt: O55774)

PDB	External Database	Details
Met -4	-	initiating methionine
Asp -3	-	expression tag
Ala -2	-	expression tag
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
Ala 31	Val 30	conflict
Glu 49	Asp 48	conflict
Glu 153	Gly 144	conflict
Cys 201	Ile 193	conflict
Ala 219	Thr 211	conflict
Tyr 302	Asn 294	conflict
Met 320	Thr 310	conflict
Ser 334	Thr 325	conflict
Cys 433	Ala 423	conflict
Cys 501	Ala 491	conflict

c, e, g: 512 - 664 (UniProt: O55774)

PDB	External Database	Details
Arg 519	Phe 509	conflict
Arg 520	Leu 510	conflict
Ala 533	Thr 523	conflict
Pro 551	Gln 541	conflict
Pro 559	Ile 549	conflict
Gly 569	Thr 559	conflict
Cys 605	Thr 595	conflict
Gly 636	Asn 626	conflict
Ala 662	Glu 652	conflict

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	271654.7
Branched	Number of molecules	37
	Total formula weight	18783.5
Non-Polymers*	Number of molecules	32
	Total formula weight	7078.7
All*	Total formula weight	297516.9

*Water molecules are not included.