7C92

Structure of Serratia marcescens chitinase B complexed with compound 6k

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Chitinase	polymer	509	56759.3	2	UniProt (Q54276) Pfam (PF00704) UniProt (by SIFTS) (P11797) In PDB	Serratia marcescens
2	A, B	6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide	non-polymer		360.4	3	Chemie (FXR)
3		water	water		18.0	439	Chemie (HOH)

Sequence modifications

A, B: 2 - 499 (UniProt: Q54276)

PDB	External Database	Details
Asp -3	-	expression tag
Pro -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Arg 1	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	113518.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1081.1
All*	Total formula weight	114599.6

*Water molecules are not included.