8AKB

Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	NAD-dependent protein deacetylase sirtuin-6	polymer	302	33631.6	2	UniProt (Q8N6T7) Pfam (PF02146)	Homo sapiens (human)	Regulatory protein SIR2 homolog 6,SIR2-like protein 6
2	C, K (A, B)	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	non-polymer		559.3	2	Chemie (AR6) PubChem (25113622) PubChem (25113623) PubChem (44415180) PubChem (51051599) PubChem (89379870) PubChem (91746164) PubChem (122606931) PubChem (122609061) PubChem (140853820) PubChem (146879505) PubChem (162774256) PubChem (162782217) PubChem (163972867) PubChem (173750345) PubChem (173750346) PubChem (175675949) PubChem (44144391) PubChem (33576) PubChem (447165) PubChem (448826) PubChem (9548001) PubChem (9547960) PubChem (192) PubChem (174159053) PubChem (445794) PubChem (447048) PubChem (10437766)
3	D, L (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	E, M (A, B)	4-NITROCATECHOL	non-polymer		155.1	2	Chemie (4NC) PubChem (3505109)
5	F, G (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	H, I, N, O (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
7	J (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG) PubChem (8117)
8	P, Q (A, B)	water	water		18.0	31	Chemie (HOH)

Sequence modifications

A, B: 13 - 308 (UniProt: Q8N6T7)

PDB	External Database	Details
Gly 7	-	expression tag
Ile 8	-	expression tag
Asp 9	-	expression tag
Pro 10	-	expression tag
Phe 11	-	expression tag
Thr 12	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67263.2
Non-Polymers*	Number of molecules	13
	Total formula weight	2174.2
All*	Total formula weight	69437.4

*Water molecules are not included.