13DX

Structure of HSP90b bound to de-novo designed binder H4

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)	Heat shock protein HSP 90-beta	polymer	756	87170.2	2	UniProt (P08238) Pfam (PF13589) Pfam (PF00183)	Homo sapiens (human)	HSP 90,Heat shock 84 kDa,HSP 84,HSP84
2	C (C)	De-novo designed binder H4	polymer	192	22429.9	1		synthetic construct
3	D, F (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
4	E, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG) PubChem (888)

Sequence modifications

A, B: 2 - 724 (UniProt: P08238)

PDB	External Database	Details
Met -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
Asp -24	-	expression tag
Tyr -23	-	expression tag
Asp -22	-	expression tag
Ile -21	-	expression tag
Pro -20	-	expression tag
Thr -19	-	expression tag
Thr -18	-	expression tag
Gly -17	-	expression tag
Tyr -16	-	expression tag
Pro -15	-	expression tag
Tyr -14	-	expression tag
Asp -13	-	expression tag
Val -12	-	expression tag
Pro -11	-	expression tag
Asp -10	-	expression tag
Tyr -9	-	expression tag
Ala -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	196770.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1061.0
All*	Total formula weight	197831.3

*Water molecules are not included.