9FZ2

Crystal structure of Amylase 5 (Amy5) from Ruminococcus bromii covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha-amylase	polymer	542	60630.7	1	UniProt (A0A2N0UXJ4) Pfam (PF00128) UniProt (by SIFTS) (A0A2N0UJ68)	Ruminococcus bromii
2	B (B)	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		342.3	1	In PDB GlyTouCan (G69864PN)
3	C (A)	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol	non-polymer		194.2	1	Chemie (PBW)
4	D (A)	8-azanyloctan-1-ol	non-polymer		145.2	1	Chemie (A1IHI)
5	E, F, G (A)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
6	H (A)	water	water		18.0	591	Chemie (HOH)

Sequence modifications

A: 23 - 551 (UniProt: A0A2N0UXJ4)

PDB	External Database	Details
Gly 552	-	expression tag
Gln 553	-	expression tag
Phe 554	-	expression tag
Tyr 555	-	expression tag
Leu 556	-	expression tag
Asn 557	-	expression tag
Glu 558	-	expression tag
His 559	-	expression tag
His 560	-	expression tag
His 561	-	expression tag
His 562	-	expression tag
His 563	-	expression tag
His 564	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	60630.7
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	5
	Total formula weight	459.7
All*	Total formula weight	61432.6

*Water molecules are not included.