4YDJ

Crystal structure of broadly and potently neutralizing antibody 44-VRC13.01 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	A, D (G, I)	Envelope glycoprotein gp160,Envelope glycoprotein gp160	polymer	353	39211.4	2	UniProt (Q0ED31) Pfam (PF00516)	Human immunodeficiency virus 1
2	B, E (H, A)	HEAVY CHAIN OF ANTIBODY 44-VRC13.01	polymer	238	25535.0	2		Homo sapiens (Human)
3	C, F (L, B)	LIGHT CHAIN OF ANTIBODY 44-VRC13.01	polymer	206	22175.5	2		Homo sapiens (Human)
4	AA, BA, CA, DA, EA... (I, A, G, B, H...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	22	Chemie (NAG)
5	FA, Q, T (A, H, L)	ISOPROPYL ALCOHOL	non-polymer		60.1	3	Chemie (IPA)
6	GA, JA, KA, R (A, B, H)	(R,R)-2,3-BUTANEDIOL	non-polymer		90.1	4	Chemie (BU3)
7	U (L)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
8	HA, LA, MA (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
9	NA (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
10	OA, PA, QA, RA, SA... (G, H, L, I, A...)	water	water		18.0	375	Chemie (HOH)

Sequence modifications

G, I: 44 - 196 (UniProt: Q0ED31)
G, I: 199 - 317 (UniProt: Q0ED31)

PDB	External Database	Details
Gly 197	-	linker
Gly 198	-	linker

G, I: 324 - 492 (UniProt: Q0ED31)

PDB	External Database	Details
Gly 318	-	linker
Gly 319	-	linker
Ser 320	-	linker
Gly 321	-	linker
Ser 322	-	linker
Gly 323	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	173843.9
Non-Polymers*	Number of molecules	34
	Total formula weight	5784.1
All*	Total formula weight	179628.0

*Water molecules are not included.