9XDS

Crystal Structure of Fructose-1,6-bisphosphatase Complexed with a Covalent Inhibitor

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Fructose-1,6-bisphosphatase 1	polymer	346	38007.6	4	UniProt (P09467)	Homo sapiens (human)	FBPase 1,D-fructose-1,6-bisphosphate 1-phosphohydrolase 1,Liver FBPase
2	AA, BA, E, F, G... (D, A)	GLYCEROL	non-polymer		92.1	10	Chemie (GOL) PubChem (753)
3	CA, I, J, K, R... (D, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
4	EA, L, Q, W (D, A, B, C)	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	4	Chemie (AMP) PubChem (6083)
5	DA, M, P, V (D, A, B, C)	~{N}-[4-[(3-bromophenyl)carbamoylsulfamoyl]phenyl]-2-chloranyl-pyridine-4-carboxamide	non-polymer		509.8	4	Chemie (A1EZR)
6	O (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
7	FA, GA, HA, IA (A, B, C, D)	water	water		18.0	578	Chemie (HOH)

Sequence modifications

A, B, C, D: 0 - 335 (UniProt: P09467)

PDB	External Database	Details
Lys 217	Arg 218	variant
Leu 336	-	expression tag
Glu 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
His 341	-	expression tag
His 342	-	expression tag
His 343	-	expression tag
His 344	-	expression tag
His 345	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	152030.6
Non-Polymers*	Number of molecules	27
	Total formula weight	4869.7
All*	Total formula weight	156900.3

*Water molecules are not included.