3O90

High resolution crystal structures of Streptococcus pneumoniae nicotinamidase with trapped intermediates provide insights into catalytic mechanism and inhibition by aldehydes

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	nicotinamidase	polymer	211	23625.4	4	UniProt (Q97PM2) Pfam (PF00857) UniProt (by SIFTS) (A0A0H2UR34)	Streptococcus pneumoniae	Isochorismatase family protein
2	E, F, G, H (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	I, J, K, L (A, B, C, D)	water	water		18.0	532	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 191 (UniProt: Q97PM2)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	94501.8
Non-Polymers*	Number of molecules	4
	Total formula weight	261.6
All*	Total formula weight	94763.4

*Water molecules are not included.