7B80

DeAMPylation complex of monomeric FICD and AMPylated BiP (state 2)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Endoplasmic reticulum chaperone BiP	polymer	523	57543.0	1	UniProt (G3I8R9) Pfam (PF00012)	Cricetulus griseus (Chinese hamster)	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 (A)	Protein adenylyltransferase FICD	polymer	343	39384.0	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 (B)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	1	Chemie (AMP)
4	D, M (B, A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	E (B)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	F, G, H (B)	POTASSIUM ION	non-polymer		39.1	3	Chemie (K)
7	I, J (A)	3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL	non-polymer		326.4	2	Chemie (P33)
8	K, L (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	N, O (B, A)	water	water		18.0	590	Chemie (HOH)

Sequence modifications

B: 28 - 549 (UniProt: G3I8R9)

PDB	External Database	Details
Ser 27	-	expression tag
Ala 229	Thr 229	engineered mutation
Phe 461	Val 461	engineered mutation

A: 104 - 445 (UniProt: Q9BVA6)

PDB	External Database	Details
Ser 103	-	expression tag
Asp 258	Leu 258	engineered mutation
Ala 363	His 363	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96927.0
Non-Polymers*	Number of molecules	11
	Total formula weight	1473.1
All*	Total formula weight	98400.1

*Water molecules are not included.