6EQS

Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29

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 sirtuin-5, mitochondrial	polymer	275	29913.1	4	UniProt (Q9NXA8) Pfam (PF02146) In PDB	Homo sapiens (Human)	Regulatory protein SIR2 homolog 5,SIR2-like protein 5
2	A, D, B, C	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	C, A, D, B	3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid	non-polymer		1180.1	4	Chemie (BV8)
4	C, A, D, B	1,2-ETHANEDIOL	non-polymer		62.1	15	Chemie (EDO)
5	C, D, A, B	1,3-BUTANEDIOL	non-polymer		90.1	8	Chemie (BU2)
6	A	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
7		water	water		18.0	1086	Chemie (HOH)

Sequence modifications

A, B, C, D: 34 - 302 (UniProt: Q9NXA8)

PDB	External Database	Details
Gly 28	-	expression tag
Ile 29	-	expression tag
Asp 30	-	expression tag
Pro 31	-	expression tag
Phe 32	-	expression tag
Thr 33	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	119652.3
Non-Polymers*	Number of molecules	33
	Total formula weight	6790.2
All*	Total formula weight	126442.5

*Water molecules are not included.