PDB-code
| Kinase structure | |
| Kinase: | Pik3c2a |
| Family: | PIP |
| Group: | Atypical |
| Species: | MOUSE |
| PDB: | 7BI2 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2022-03-09 |
| PubMed: | 35256802 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 17G |
 | |
| More entries for 7BI2 | |||||
| 7BI2 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 57.8° (18Å) |
| G-rich loop rotation: | 77.8° |
| Quality Score: | 7.6 |
| Resolution: | 3.25 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | CSFFSSNAMPLKVVMFKVGDLRQDMLALQMIKLRMVIFRCLRGMVELVPSDTLRKIQVEATYV--LGICDRHNDNIMLHIDFGKF |
| Sequence structure: | CSFFSSNAMPLKVVMFKVGDLRQDMLALQMIKLRMVIFRCLRGMVELVPSDTLRKIQVEATYV__LGICDRHNDNIMLHIDFGKF |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1765602 |
| Bioaffinities: | 3 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | DNA-dependent protein kinase | 9.3 | 9.3 | 9.3 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase mTOR | 9.6 | 9.6 | 9.6 | pIC50 | 1 |
| Mus musculus | Serine/threonine-protein kinase mTOR | 9.6 | 9.6 | 9.6 | pEC50 | 1 |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 C 727 | 2 S 728 | 3 F 729 | 4 F 730 | 5 S 731 | 6 S 732 | 7 N 733 | 8 A 734 | 9 M 735 | 10 P 736 | 11 L 737 | 12 K 738 | 13 V 739 | 14 V 753 | 15 M 754 | 16 F 755 | 17 K 756 | 18 V 757 | 19 G 758 | 20 D 760 |
| •• | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 761 | 22 R 762 | 23 Q 763 | 24 D 764 | 25 M 765 | 26 L 766 | 27 A 767 | 28 L 768 | 29 Q 769 | 30 M 770 | 31 I 771 | 32 K 772 | 33 L 785 | 34 R 786 | 35 M 787 | 36 V 788 | 37 I 789 | 38 F 790 | 39 R 791 | 40 C 792 |
| •• | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 L 793 | 42 R 799 | 43 G 800 | 44 M 801 | 45 V 802 | 46 E 803 | 47 L 804 | 48 V 805 | 49 P 806 | 50 S 808 | 51 D 809 | 52 T 810 | 53 L 811 | 54 R 812 | 55 K 813 | 56 I 814 | 57 Q 815 | 58 V 816 | 59 E 817 | 60 A 860 |
| • | • | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 T 861 | 62 Y 862 | 63 V 863 | 64 _ _ | 65 _ _ | 66 L 864 | 67 G 865 | 68 I 866 | 69 C 867 | 70 D 868 | 71 R 869 | 72 H 870 | 73 N 871 | 74 D 872 | 75 N 873 | 76 I 874 | 77 M 875 | 78 L 876 | 79 H 884 | 80 I 885 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 886 | 82 F 887 | 83 G 888 | 84 K 889 | 85 F 890 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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