5AQI

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	42407.0	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, O (A, C)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
4	G, H, I, J, L... (A, B, C)	GLYCEROL	non-polymer		92.1	11	Chemie (GOL)
5	K, T (A, C)	ADENINE	non-polymer		135.1	2	Chemie (ADE)
6	U, V, W, X (A, B, C, D)	water	water		18.0	255	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

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	111837.1
Non-Polymers*	Number of molecules	16
	Total formula weight	1517.7
All*	Total formula weight	113354.8

*Water molecules are not included.