6MG7

Crystal structure of the RV144 C1-C2 specific antibody CH54 Fab in complex with HIV-1 CLADE A/E GP120 and M48U1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (G)	clade A/E 93TH057 HIV-1 gp120 core	polymer	385	42847.7	1	UniProt (A0A0M3KKW9) Pfam (PF00516)	Human immunodeficiency virus 1
2	B (N)	M48U1 CD4 mimetic peptide	polymer	28	3056.8	1	BIRD (PRD_001094)	synthetic construct
3	C (H)	CH54 Fab heavy chain	polymer	220	23532.5	1		Homo sapiens (Human)
4	D (L)	CH54 Fab light chain	polymer	210	22637.2	1		Homo sapiens (Human)
5	E, F, G, H, I... (G)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	10	Chemie (NAG)

Sequence modifications

G: 44 - 492 (UniProt: A0A0M3KKW9)

PDB	External Database	Details
Ser 31	-	expression tag
Asp 32	-	expression tag
Asn 33	-	expression tag
Leu 34	-	expression tag
Trp 35	-	expression tag
Val 36	-	expression tag
Thr 37	-	expression tag
Val 38	-	expression tag
Tyr 39	-	expression tag
Tyr 40	-	expression tag
Gly 41	-	expression tag
Val 42	-	expression tag
Pro 43	-	expression tag
Ser 375	His 242	engineered mutation
Pro 493	-	expression tag
Leu 494	-	expression tag
Gly 495	-	expression tag
Ile 496	-	expression tag
Ala 497	-	expression tag
Pro 498	-	expression tag
Thr 499	-	expression tag
Lys 500	-	expression tag
Ala 501	-	expression tag
Lys 502	-	expression tag
Arg 503	-	expression tag
Arg 504	-	expression tag
Val 505	-	expression tag
Val 506	-	expression tag
Gln 507	-	expression tag
Arg 508	-	expression tag
Glu 509	-	expression tag
Lys 510	-	expression tag
Arg 511	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	92074.1
Non-Polymers*	Number of molecules	10
	Total formula weight	2212.1
All*	Total formula weight	94286.2

*Water molecules are not included.