9DIM

Q23.MD39 in Complex with Fab from antibody 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, C, E (A, C, G)	Q23.MD39 Surface protein gp120	polymer	467	52753.8	3	UniProt (O55774)	Human immunodeficiency virus 1
2	B, D, F (B, D, I)	Q23.MD39 Transmembrane protein gp41	polymer	153	17329.6	3	UniProt (O55774)	Human immunodeficiency virus 1
3	G, I (M, E)	35O22 Fab Heavy Chain	polymer	243	26170.5	2		Homo sapiens
4	H, J (N, F)	35O22 Fab Light Chain	polymer	216	23318.8	2		Homo sapiens
5	K (H)	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)
6	AA, GA, HA, JA, KA... (a, g, h, j, k...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	12	In PDB GlyTouCan (G42666HT)
7	DA, EA, FA, IA, M... (d, e, f, i, K...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	10	In PDB GlyTouCan (G15407YE)
8	R (R)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
9	S (S)	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	1	In PDB GlyTouCan (G55220VL)
10	CA, LA, Z (c, l, Z)	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)
11	BA (b)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
12	AB, BB, CB, DB, EB... (G, I, A, B, C...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	19	Chemie (NAG)

Sequence modifications

A, C, G: 32 - 507 (UniProt: O55774)

PDB	External Database	Details
Glu 106	Thr 105	engineered mutation
Ile 271	Thr 263	engineered mutation
Val 304	Arg 296	engineered mutation
Tyr 319	Ala 309	engineered mutation
Gln 363	Asn 353	engineered mutation
Ser 473	Gly 463	engineered mutation
Cys 501	Ala 491	engineered mutation

B, D, I: 512 - 664 (UniProt: O55774)

PDB	External Database	Details
Ser 519	Phe 509	engineered mutation
Ala 533	Thr 523	engineered mutation
Pro 559	Ile 549	engineered mutation
Pro 561	Ala 551	engineered mutation
Asp 568	Leu 558	engineered mutation
His 570	Val 560	engineered mutation
His 585	Arg 575	engineered mutation
Cys 605	Thr 595	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	309228.8
Branched	Number of molecules	29
	Total formula weight	17626.3
Non-Polymers*	Number of molecules	19
	Total formula weight	4203.0
All*	Total formula weight	331058.0

*Water molecules are not included.