4HA2

Crystal structure ofa phenyl alanine 91 mutant of WCI

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Chymotrypsin inhibitor 3	polymer	185	20478.1	2	UniProt (P10822) Pfam (PF00197) In PDB	Psophocarpus tetragonolobus (Goa bean asparagus bean asparagus pea winged beans)	WCI-3
2	A, B	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
3		water	water		18.0	91	Chemie (HOH)

Sequence modifications

A, B: 4 - 186 (UniProt: P10822)

PDB	External Database	Details
Met 2	-	expression tag
Glu 3	-	expression tag
Phe 4	Asp 25	engineered mutation
Phe 94	Trp 115	engineered mutation
Ala 117	Ile 138	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40956.3
Non-Polymers*	Number of molecules	2
	Total formula weight	117.4
All*	Total formula weight	41073.6

*Water molecules are not included.