6RXQ

Crystal structure of CobB Ac2 (A76G,I131C,V162A) in complex with H4K16Cr-2'OH-ADPr peptide intermediate after soaking

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	NAD-dependent protein deacylase	polymer	254	28054.7	4	UniProt (P75960) Pfam (PF02146) In PDB	Escherichia coli (strain K12)	Regulatory protein SIR2 homolog
2	E, F, G, H	Histone H4	polymer	11	1269.6	4	UniProt (P02309) In PDB	Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
3	E, F, G, H	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		613.4	4	Chemie (KMQ)
4		water	water		18.0	582	Chemie (HOH)

Sequence modifications

A, B, C, D: 40 - 279 (UniProt: P75960)

PDB	External Database	Details
Met -14	-	initiating methionine
Gly -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ser -4	-	expression tag
Gln -3	-	expression tag
Asp -2	-	expression tag
Pro -1	-	expression tag
Gly 76	Ala 76	engineered mutation
Cys 131	Ile 131	engineered mutation
Ala 161	Val 161	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	117297.0
Non-Polymers*	Number of molecules	4
	Total formula weight	2453.6
All*	Total formula weight	119750.6

*Water molecules are not included.