4ZGJ

Double Mutant H80A/H81A of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I... (A, C, E, G, I...)	Nitrile hydratase alpha subunit	polymer	206	22788.0	8	UniProt (J9PBS0) Pfam (PF02979)	Comamonas testosteroni
2	B, D, F, H, J... (B, D, F, H, J...)	Nitrile hydratase beta subunit	polymer	206	22580.6	8	UniProt (J9PBS1) Pfam (PF21006) Pfam (PF02211)	Comamonas testosteroni
3	Q, R, S, T, U... (A, C, E, G, I...)	FE (III) ION	non-polymer		55.8	8	Chemie (FE)
4	AA, BA, CA, DA, EA... (C, D, E, F, G...)	water	water		18.0	4994	Chemie (HOH)

Sequence modifications

A, C, E, G, I, K, M, O: 2 - 207 (UniProt: J9PBS0)

PDB	External Database	Details
Ala 80	His 82	engineered mutation
Ala 81	His 83	engineered mutation

B, D, F, H, J, L, N, P: 1 - 206 (UniProt: J9PBS1)

PDB	External Database	Details
Pro 112	Ala 112	conflict

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	362948.9
Non-Polymers*	Number of molecules	8
	Total formula weight	446.8
All*	Total formula weight	363395.7

*Water molecules are not included.