2H8I

Crystal Structure of the Bothropstoxin-I complexed with polyethylene glycol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Phospholipase A2 homolog 1	polymer	121	13752.1	2	UniProt (Q90249) Pfam (PF00068)	Bothrops jararacussu (jararacussu)	Bothropstoxin I, BthTX-I, BtxtxI
2	C, D (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
3	E, F (A, B)	water	water		18.0	122	Chemie (HOH)

Sequence modifications

A, B: 1 - 121 (UniProt: Q90249)

PDB	External Database	Details
Tyr 21	His 21	variant
Asn 58	Asp 58	SEE REMARK 999
Pro 120	Ala 120	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27504.3
Non-Polymers*	Number of molecules	2
	Total formula weight	212.2
All*	Total formula weight	27716.5

*Water molecules are not included.