3AFK

Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Anti-tumor lectin	polymer	167	18180.2	2	UniProt (Q6WY08) Pfam (PF00337) In PDB	Agrocybe aegerita (Black poplar mushroom)	AAL
2	C, D	beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose	branched		383.3	2	In PDB BIRD (PRD_900084) GlyTouCan (G00031MO)		Thomsen-Friedenreich antigen
3	A, B	THREONINE	non-polymer		119.1	2	Chemie (THR)
4		water	water		18.0	295	Chemie (HOH)

Sequence modifications

A, B: 1 - 158 (UniProt: Q6WY08)

PDB	External Database	Details
Met 0	-	expression tag
Ser 132	Leu 132	SEE REMARK 999
Leu 159	-	expression tag
Glu 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36360.3
Branched	Number of molecules	2
	Total formula weight	766.7
Non-Polymers*	Number of molecules	2
	Total formula weight	238.2
All*	Total formula weight	37365.2

*Water molecules are not included.