1AEN

SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-5-METHYLTHIAZOLE)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CYTOCHROME C PEROXIDASE	polymer	294	33459.2	1	UniProt (P00431) Pfam (PF00141) In PDB	Saccharomyces cerevisiae (baker's yeast)	CCP/W191G
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	2-AMINO-5-METHYLTHIAZOLE	non-polymer		115.2	1	Chemie (25T)
4		water	water		18.0	49	Chemie (HOH)

Sequence modifications

A: 4 - 294 (UniProt: P00431)

PDB	External Database	Details
Ile 53	Thr 120	variant
Gly 152	Asp 219	variant
Gly 191	Trp 258	engineered mutation
Asp 272	Asn 339	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33459.2
Non-Polymers*	Number of molecules	2
	Total formula weight	731.7
All*	Total formula weight	34190.9

*Water molecules are not included.