PDB-code
| Kinase structure | |
| Kinase: | CSF1R (FMS) |
| Family: | PDGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1806 |
| PDB: | 4R7I |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-08-12 |
| PubMed: | 26222558 |
| Chain: | A |
| Orthosteric ligand: | STI |
 | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60° (18.4Å) |
| G-rich loop rotation: | 46.3° |
| Quality Score: | 7.6 |
| Resolution: | 2.75 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-out BP-IV | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KTLGAGAFGKVVEVAVKMLALMSELKIMSHLGENIVNLLGALVITEYCCYGDLLNFLRRFLASKNCIHRDVAARNVLLIGDFGLA |
| Sequence structure: | KTLGAGAFGKVVEVAVKMLALMSELKIMSHLGENIVNLLGALVITEYCTYGDLLNFLRRFLASKNCIHRDVAARNVLLIGDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL941 |
| Bioaffinities: | 228 records for 42 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Cell division cycle 2-like protein kinase 6 | 5.3 | 5.3 | 5.3 | pKd | 2 |
| Homo sapiens | c-Jun N-terminal kinase 1 | 5.3 | 5.3 | 5.5 | pKd | 3 |
| Homo sapiens | c-Jun N-terminal kinase 2 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | c-Jun N-terminal kinase 3 | 5.5 | 5.5 | 5.5 | pKd | 3 |
| Homo sapiens | c-Jun N-terminal kinase 3 | 6 | 6 | 6 | pKi | 1 |
| Homo sapiens | Discoidin domain-containing receptor 2 | 6.2 | 6.2 | 6.9 | pIC50 | 2 |
| Homo sapiens | Discoidin domain-containing receptor 2 | 7.8 | 7.8 | 7.8 | pKd | 2 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 5.7 | 5.4 | 5.7 | pKd | 4 |
| Homo sapiens | Dual specificity protein kinase CLK4 | 5.9 | 5.9 | 5.9 | pKi | 1 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 5.4 | 5.4 | 5.4 | pKd | 3 |
| Homo sapiens | Ephrin type-A receptor 8 | 5.9 | 5.7 | 5.9 | pKd | 3 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 5.1 | 5.1 | 5.1 | pKd | 2 |
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 6.5 | 4.5 | 7.4 | pIC50 | 4 |
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 9.2 | 9.2 | 9.2 | pKd | 2 |
| Homo sapiens | Homeodomain-interacting protein kinase 4 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 5.1 | 5.1 | 5.1 | pKi | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 6 | 5.9 | 6.5 | pIC50 | 3 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 7.7 | 7.7 | 8 | pKd | 2 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | MAP kinase p38 alpha | 4 | 4 | 4.9 | pIC50 | 2 |
| Homo sapiens | Maternal embryonic leucine zipper kinase | 5.7 | 5.7 | 5.7 | pKd | 2 |
| Homo sapiens | Mixed lineage kinase 7 | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 7.1 | 7.1 | 7.1 | pEC50 | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 7.1 | 6.8 | 8.7 | pIC50 | 6 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 7.5 | 7.5 | 7.5 | pKd | 2 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 6.8 | 6.8 | 6.8 | pKi | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 6.6 | 6.4 | 7.1 | pIC50 | 4 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 7.9 | 7.6 | 7.9 | pKd | 3 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 7.3 | 7.3 | 7.3 | pKi | 1 |
| Rattus norvegicus | Platelet-derived growth factor receptor beta | 6.8 | 6.8 | 6.8 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase 17A | 5.3 | 5.3 | 5.6 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | 5.5 | 5.5 | 5.5 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase GAK | 6 | 5.4 | 6 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase PLK4 | 5.1 | 5.1 | 5.1 | pKd | 3 |
| Homo sapiens | Serine/threonine-protein kinase RAF | 5.8 | 5.8 | 5.8 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 5.4 | 5.4 | 5.4 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase TNNI3K | 5.4 | 5.4 | 5.4 | pKd | 2 |
| Homo sapiens | Stem cell growth factor receptor | 7 | 7 | 7 | pEC50 | 1 |
| Homo sapiens | Stem cell growth factor receptor | 7 | 5 | 7.8 | pIC50 | 22 |
| Homo sapiens | Stem cell growth factor receptor | 7 | 5.5 | 7.9 | pKd | 16 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.7 | 4.1 | 7.7 | pIC50 | 32 |
| Homo sapiens | Tyrosine-protein kinase ABL | 7.4 | 5.2 | 9 | pKd | 26 |
| Homo sapiens | Tyrosine-protein kinase ABL | 7.4 | 5.2 | 7.9 | pKi | 6 |
| Mus musculus | Tyrosine-protein kinase ABL | 6.1 | 4.7 | 8 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase ABL2 | 6.6 | 6.6 | 6.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL2 | 8 | 6.3 | 8.2 | pKd | 5 |
| Homo sapiens | Tyrosine-protein kinase BLK | 6.3 | 6.3 | 6.3 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase FGR | 5.6 | 5.6 | 5.6 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase FRK | 5.8 | 5.5 | 5.8 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase FRK | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 5.5 | 5.3 | 5.5 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 6.5 | 6.5 | 6.8 | pIC50 | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 7.4 | 7.2 | 7.4 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase LCK | 6.5 | 6.5 | 6.5 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 6.7 | 6.7 | 6.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 5.2 | 5.2 | 5.2 | pKd | 1 |
| Gallus gallus | Tyrosine-protein kinase SRC | 5.6 | 5.6 | 5.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 4.5 | 4.5 | 4.5 | pKi | 3 |
| Homo sapiens | Tyrosine-protein kinase SYK | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SYK | 5.3 | 5.3 | 5.3 | pKi | 2 |
| Homo sapiens | Tyrosine-protein kinase TYK2 | 5.1 | 5.1 | 5.1 | pKd | 2 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 4.6 | 4.6 | 4.6 | pIC50 | 2 |
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 K 586 | 2 T 587 | 3 L 588 | 4 G 589 | 5 A 590 | 6 G 591 | 7 A 592 | 8 F 593 | 9 G 594 | 10 K 595 | 11 V 596 | 12 V 597 | 13 E 598 | 14 V 613 | 15 A 614 | 16 V 615 | 17 K 616 | 18 M 617 | 19 L 618 | 20 A 629 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 630 | 22 M 631 | 23 S 632 | 24 E 633 | 25 L 634 | 26 K 635 | 27 I 636 | 28 M 637 | 29 S 638 | 30 H 639 | 31 L 640 | 32 G 641 | 33 E 644 | 34 N 645 | 35 I 646 | 36 V 647 | 37 N 648 | 38 L 649 | 39 L 650 | 40 G 651 |
| •• | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 652 | 42 L 660 | 43 V 661 | 44 I 662 | 45 T 663 | 46 E 664 | 47 Y 665 | 48 C 666 | 49 T 667 | 50 Y 668 | 51 G 669 | 52 D 670 | 53 L 671 | 54 L 672 | 55 N 673 | 56 F 674 | 57 L 675 | 58 R 676 | 59 R 677 | 60 F 768 |
| • | •• | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 769 | 62 A 770 | 63 S 771 | 64 K 772 | 65 N 773 | 66 C 774 | 67 I 775 | 68 H 776 | 69 R 777 | 70 D 778 | 71 V 779 | 72 A 780 | 73 A 781 | 74 R 782 | 75 N 783 | 76 V 784 | 77 L 785 | 78 L 786 | 79 I 794 | 80 G 795 |
| • | • | • | • | • | • | ||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 796 | 82 F 797 | 83 G 798 | 84 L 799 | 85 A 800 | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
