1VCL

Crystal Structure of Hemolytic Lectin CEL-III

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	hemolytic lectin CEL-III	polymer	432	47452.2	2	UniProt (Q868M7) Pfam (PF00652) In PDB	Cucumaria echinata
2	A, B	CALCIUM ION	non-polymer		40.1	10	Chemie (CA)
3	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	A	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	1	Chemie (BTB)
6		water	water		18.0	846	Chemie (HOH)

Sequence modifications

A, B: 1 - 432 (UniProt: Q868M7)

PDB	External Database	Details
Ser 15	Asn 25	SEE REMARK 999
Phe 16	Tyr 26	SEE REMARK 999
Tyr 36	His 46	SEE REMARK 999
Ile 48	Met 58	SEE REMARK 999
Gln 92	Leu 102	SEE REMARK 999
Arg 95	Lys 105	SEE REMARK 999
Thr 97	Ala 107	SEE REMARK 999
Ile 122	Val 132	SEE REMARK 999
Val 146	Ile 156	SEE REMARK 999
Asp 173	Glu 183	SEE REMARK 999
Ser 204	Gln 214	SEE REMARK 999
Thr 340	Ser 350	SEE REMARK 999
Val 404	Ile 414	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94904.3
Non-Polymers*	Number of molecules	17
	Total formula weight	778.1
All*	Total formula weight	95682.5

*Water molecules are not included.