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 | Pyruvate kinase isozymes M1/M2 | polymer | 556 | 60953.1 | 4 | UniProt (P14618) Pfam (PF00224) Pfam (PF02887) In PDB | 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 | A, B, C, D | 1,6-di-O-phosphono-beta-D-fructofuranose | non-polymer | 340.1 | 4 | Chemie (FBP) | |||
3 | B, D | 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one | non-polymer | 276.3 | 2 | Chemie (1OX) | |||
4 | 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 |