4OB2

Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Crystal Soaking

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cobalt-containing nitrile hydratase subunit alpha	polymer	209	23901.3	1	UniProt (Q7SID2) Pfam (PF02979) In PDB	Pseudonocardia thermophila	L-NHase, L-nitrilase
2	B	Cobalt-containing nitrile hydratase subunit beta	polymer	233	26583.6	1	UniProt (Q7SID3) Pfam (PF21006) Pfam (PF02211) In PDB	Pseudonocardia thermophila	L-NHase, L-nitrilase
3	A	1-BUTANE BORONIC ACID	non-polymer		101.9	1	Chemie (BUB)
4	A	COBALT (II) ION	non-polymer		58.9	1	Chemie (CO)
5	A, B	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
6	B, A	METHANOL	non-polymer		32.0	24	Chemie (MOH)
7		water	water		18.0	550	Chemie (HOH)

Sequence modifications

A: 2 - 204 (UniProt: Q7SID2)

PDB	External Database	Details
His 205	-	expression tag
His 206	-	expression tag
His 207	-	expression tag
His 208	-	expression tag
His 209	-	expression tag
His 210	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50484.9
Non-Polymers*	Number of molecules	34
	Total formula weight	1666.6
All*	Total formula weight	52151.6

*Water molecules are not included.