4XHU

The complex structure of Timeless_PAB and PARP-1_catalytic domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (C, A)	Poly [ADP-ribose] polymerase 1	polymer	359	40165.0	2	UniProt (P09874) Pfam (PF02877) Pfam (PF00644)	Homo sapiens (Human)	PARP-1,ADP-ribosyltransferase diphtheria toxin-like 1,ARTD1,NAD(+) ADP-ribosyltransferase 1,ADPRT 1,Poly[ADP-ribose] synthase 1
2	B, D (D, B)	Protein timeless homolog	polymer	103	11519.9	2	UniProt (Q9UNS1) Pfam (PF05029)	Homo sapiens (Human)	hTIM
3	E, F, H, I (C, D, A)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	G, J (C, A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	K (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	L, M, N, O (C, D, A, B)	water	water		18.0	248	Chemie (HOH)

Sequence modifications

C, A: 661 - 1014 (UniProt: P09874)

PDB	External Database	Details
Gly 656	-	expression tag
Pro 657	-	expression tag
Gly 658	-	expression tag
His 659	-	expression tag
Met 660	-	expression tag

D, B: 5 - 103 (UniProt: Q9UNS1)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag
His 3	-	expression tag
Met 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	103369.8
Non-Polymers*	Number of molecules	7
	Total formula weight	526.5
All*	Total formula weight	103896.4

*Water molecules are not included.