4AJS

3D structure of E. coli Isocitrate Dehydrogenase K100M mutant in complex with isocitrate, magnesium(II), Adenosine 2',5'-biphosphate and ribosylnicotinamide-5'-phosphate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	ISOCITRATE DEHYDROGENASE [NADP]	polymer	416	45811.6	1	UniProt (P08200) Pfam (PF00180)	ESCHERICHIA COLI	IDH, IDP, NADP(+)-SPECIFIC ICDH, OXALOSUCCINATE DECARBOXYLASE, ISOCITRATE DEHYDROGENASE
2	B (A)	ADENOSINE-2'-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (A2P) PubChem (2027) PubChem (176478996) PubChem (168973) PubChem (440141) PubChem (92436485) PubChem (92209724) PubChem (92209725) PubChem (92209726) PubChem (92209727) PubChem (6102530) PubChem (92450259) PubChem (92855694) PubChem (124351419)
3	C (A)	ISOCITRIC ACID	non-polymer		192.1	1	Chemie (ICT)
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)
5	E (A)	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE	non-polymer		335.2	1	Chemie (NMN) PubChem (939) PubChem (177675032) PubChem (44269211) PubChem (46874984) PubChem (71750998) PubChem (89516131) PubChem (14181) PubChem (90476335) PubChem (6093202) PubChem (93605785) PubChem (9819044) PubChem (122587981) PubChem (123929622) PubChem (124350426) PubChem (15737496) PubChem (134694109) PubChem (147327152) PubChem (149999359) PubChem (164745794) PubChem (167012155) PubChem (172887170)
6	F (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7	G (A)	water	water		18.0	504	Chemie (HOH)

Sequence modifications

A: 1 - 416 (UniProt: P08200)

PDB	External Database	Details
Met 100	Lys 100	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45811.6
Non-Polymers*	Number of molecules	5
	Total formula weight	1074.9
All*	Total formula weight	46886.5

*Water molecules are not included.