5A2I

Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	IG LAMBDA-1 CHAIN V REGION S43	polymer	244	25742.3	1	UniProt (P01801) UniProt (P01727) Pfam (PF07686)	MUS MUSCULUS (HOUSE MOUSE)	SCFV-SM3
2	B (P)	ANTIGEN TN, SER IS COVALENTLY BOUND TO GALNAC	polymer	6	642.7	1		HOMO SAPIENS
3	C, D (H)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E (P)	2-acetamido-2-deoxy-alpha-D-galactopyranose	non-polymer		221.2	1	Chemie (A2G)
5	F, G (H, P)	water	water		18.0	61	Chemie (HOH)

Sequence modifications

H: 6 - 113 (UniProt: P01801)

PDB	External Database	Details
Gln 1	-	cloning artifact
Val 2	-	cloning artifact
Gln 3	-	cloning artifact
Leu 4	-	cloning artifact
Gln 5	-	cloning artifact
Gly 94	-	insertion
Val 95	-	insertion
Gly 96	-	insertion
Gln 97	-	insertion
-	Thr 100	deletion
-	Gly 101	deletion
Thr 108	Leu 110	conflict
Ser 114	-	linker
Ser 115	-	linker
Gly 116	-	linker
Gly 117	-	linker
Gly 118	-	linker
Gly 119	-	linker
Ser 120	-	linker
Gly 121	-	linker
Gly 122	-	linker
Gly 123	-	linker
Gly 124	-	linker
Gly 125	-	linker
Ser 126	-	linker
Ser 127	-	linker
Gly 128	-	linker
Ser 129	-	linker
Ser 130	-	linker

H: 1002 - 1107 (UniProt: P01727)

PDB	External Database	Details
Asp 1002	Gln 20	conflict
Ile 1003	Ala 21	conflict
Ala 1078	Thr 98	conflict
Ile 1085	Met 106	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	26385.0
Non-Polymers*	Number of molecules	3
	Total formula weight	345.3
All*	Total formula weight	26730.4

*Water molecules are not included.