5AQL

Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	HEAT SHOCK COGNATE 71 KDA PROTEIN	polymer	386	42506.1	2	UniProt (P11142) Pfam (PF00012)	HOMO SAPIENS (HUMAN)	HEAT SHOCK 70 KDA PROTEIN 8, LIPOPOLYSACCHARIDE-ASSOCIATED PROTEIN 1, LAP-1, LPS-ASSOCIATED PROTEIN 1
2	B, D (B, D)	BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1	polymer	118	13511.6	2	UniProt (Q99933) Pfam (PF02179)	HOMO SAPIENS (HUMAN)	BAG-1, BCL-2-ASSOCIATED ATHANOGENE 1
3	E, F, J, K (A, C)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	4	Chemie (TRS)
4	G, H, I, L, M (B, C, D)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	908	Chemie (HOH)

Sequence modifications

A, C: 1 - 381 (UniProt: P11142)

PDB	External Database	Details
Gly -4	-	expression tag
Pro -3	-	expression tag
Leu -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Trp 275	Ser 275	engineered mutation

B, D: 151 - 263 (UniProt: Q99933)

PDB	External Database	Details
Gly 146	-	expression tag
Pro 147	-	expression tag
Leu 148	-	expression tag
Gly 149	-	expression tag
Ser 150	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	112035.4
Non-Polymers*	Number of molecules	9
	Total formula weight	949.0
All*	Total formula weight	112984.4

*Water molecules are not included.