6ZMD

Crystal structure of HYPE covalently tethered to BiP bound to AMP-PNP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Endoplasmic reticulum chaperone BiP	polymer	527	57827.4	1	UniProt (P11021) Pfam (PF00012)	Homo sapiens (Human)	78 kDa glucose-regulated protein,GRP-78,Binding-immunoglobulin protein,BiP,Heat shock protein 70 family protein 5,HSP70 family protein 5,Heat shock protein family A member 5,Immunoglobulin heavy chain-binding protein
2	B (B)	Protein adenylyltransferase FICD	polymer	344	39392.1	1	UniProt (Q9BVA6) Pfam (PF02661)	Homo sapiens (Human)	AMPylator FICD,De-AMPylase FICD,FIC domain-containing protein,Huntingtin yeast partner E,Huntingtin-interacting protein 13,HIP-13,Huntingtin-interacting protein E
3	C (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
4	D (A)	~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide	non-polymer		366.3	1	Chemie (QMK)
5	E, F (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	G, H (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
7	I, J (A, B)	water	water		18.0	74	Chemie (HOH)

Sequence modifications

A: 28 - 549 (UniProt: P11021)

PDB	External Database	Details
Gly 23	-	expression tag
Ala 24	-	expression tag
Met 25	-	expression tag
Gly 26	-	expression tag
Ser 27	-	expression tag
Ala 229	Thr 229	engineered mutation

B: 102 - 445 (UniProt: Q9BVA6)

PDB	External Database	Details
Ala 168	Thr 168	engineered mutation
Ala 183	Thr 183	engineered mutation
Gly 234	Glu 234	engineered mutation
Asp 258	Leu 258	engineered mutation
Cys 404	Glu 404	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97219.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1111.0
All*	Total formula weight	98330.5

*Water molecules are not included.