5UEM

Crystal structure of 354NC37 Fab in complex with HIV-1 clade AE strain 93TH057 gp120

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	G	clade A/E 93TH057 HIV-1 gp120 core	polymer	361	40204.5	1	UniProt (A0A0M3KKW9) Pfam (PF00516) In PDB	Human immunodeficiency virus 1
2	H	354NC37 Fab Heavy Chain	polymer	230	24704.8	1		Homo sapiens
3	L	354NC37 Fab Light Chain	polymer	213	23163.9	1		Homo sapiens
4	A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	B	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)
6	C	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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	1	In PDB GlyTouCan (G07617FP)
7	G	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
8	G	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
9		water	water		18.0	70	Chemie (HOH)

Sequence modifications

G: 44 - 492 (UniProt: A0A0M3KKW9)

PDB	External Database	Details
Cys 65	Val 22	conflict
Cys 115	Ser 72	conflict
Gly 493	-	expression tag
Ser 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	88073.2
Branched	Number of molecules	3
	Total formula weight	2570.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1565.6
All*	Total formula weight	92209.1

*Water molecules are not included.