9O3B

PKM2 bound to MCTI-566

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, E... (A, B, C, D, E...)	Pyruvate kinase PKM	polymer	550	60050.1	8	UniProt (P14618) Pfam (PF00224) Pfam (PF02887)	Homo sapiens (human)	Cytosolic thyroid hormone-binding protein,CTHBP,Opa-interacting protein 3,OIP-3,Pyruvate kinase 2/3,Pyruvate kinase muscle isozyme,Thyroid hormone-binding protein 1,THBP1,Tumor M2-PK,p58
2	BA, I, N, X (F, A, B, E)	1,6-di-O-phosphono-beta-D-fructofuranose	non-polymer		340.1	4	Chemie (FBP) PubChem (718) PubChem (10267) PubChem (172313) PubChem (440117) PubChem (5702629) PubChem (12800340) PubChem (16219368) PubChem (24802138) PubChem (46937007) PubChem (445557) PubChem (92209487) PubChem (124383956) PubChem (124540446) PubChem (135053794) PubChem (89534552) PubChem (92209485) PubChem (92209486) PubChem (123134048) PubChem (124202619) PubChem (124427861) PubChem (124524513) PubChem (124604817) PubChem (130233858) PubChem (133126640) PubChem (135055131) PubChem (140434362) PubChem (146159004) PubChem (160510795)
3	CA, HA, J, Q (F, H, A, C)	OXALATE ION	non-polymer		88.0	4	Chemie (OXL) PubChem (71081)
4	EA, JA, K, O, S... (G, H, A, B, C...)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
5	DA, FA, KA, L, P... (F, G, H, A, B...)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG) PubChem (888)
6	AA, IA, M, R (F, H, B, C)	7-[(dimethylamino)methyl]-8-fluoro-5-methyl-3-[(6-methylpyridin-2-yl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one	non-polymer		379.4	4	Chemie (A1B77) PubChem (162683488)
7	GA, LA, U, W (G, H, C, D)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4) PubChem (1061)
8	MA, NA, OA, PA, QA... (A, B, C, D, E...)	water	water		18.0	1172	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 531 (UniProt: P14618)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	480400.8
Non-Polymers*	Number of molecules	30
	Total formula weight	4177.0
All*	Total formula weight	484577.8

*Water molecules are not included.