4JPG
2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as Novel PKM2 Activators
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) | Pyruvate kinase isozymes M1/M2 | polymer | 556 | 60953.1 | 4 | 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 | E, F, H, I (A, B, C, D) | 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 | G, J (B, D) | 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one | non-polymer | 276.3 | 2 | Chemie (1OX) PubChem (73350476) | |||
| 4 | K, L, M, N (A, B, C, D) | water | water | 18.0 | 694 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 531 (UniProt: P14618)
| PDB | External Database | Details |
|---|---|---|
| Gly -24 | - | expression tag |
| Ser -23 | - | expression tag |
| Met -22 | - | expression tag |
| Lys -21 | - | expression tag |
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| His -18 | - | expression tag |
| His -17 | - | expression tag |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| Asp -14 | - | expression tag |
| Tyr -13 | - | expression tag |
| Gly -12 | - | expression tag |
| Ile -11 | - | expression tag |
| Leu -10 | - | expression tag |
| Thr -9 | - | expression tag |
| Thr -8 | - | expression tag |
| Glu -7 | - | expression tag |
| Asn -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Tyr -4 | - | expression tag |
| Phe -3 | - | expression tag |
| Gln -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 243812.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1913.0 | |
| All* | Total formula weight | 245725.4 |
