2ITQ - chain A (model A) | Epidermal growth factor receptor
Structure information
| PDB: | 2ITQ |
| PubMed: | 17349580 |
| Release date: | 2007-04-03 |
| Resolution: | 2.68 Å |
| Kinase: | EGFR |
| Family: | EGFR |
| Group: | TK |
| Species: | HUMAN |
| Quality Score: | 8 |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| DFG conformation: | in |
| αC-helix conformation: | in |
| Salt bridge KIII.17 and EαC.24: | Yes (2.5Å) |
| ASP rotation (xDFG.81) : | 356° |
| PHE rotation (xDFG.82) : | 15° |
| Activation loop position: | -3.2Å |
| αC-helix position: | 17.1Å |
| G-rich loop angle: | 61.9° |
| G-rich loop distance: | 19.2Å |
| G-rich loop rotation: | 29.2° |
Other models from this PDB:
2D & 3D views
Binding pocket waters
The following waters were found in the defined clusters:
I4
H-bond protein
Binding pocket sequence
| Uniprot | KVLGSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
| Structure: | KVLSSGAFGTVYKVAIKELEILDEAYVMASVDPHVCRLLGIQLITQLMPFGCLLDYVREYLEDRRLVHRDLAARNVLVITDFGLA |
Modified residues
No modified residues identified.
Orthosteric ligand
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- LABELS
- KLIFS residue #
- Amino Acid
- None
- COLORS
- Interaction types
- KLIFS (all res.)
- KLIFS (interacting res.)
- None
- OTHER
- Show/hide non-interacting res.
- En/disable resizing interacting res.
This ligand targets the following (sub)pockets:
| Main pockets | |
|---|---|
| Front | |
| Gate | |
| Back | |
| Subpockets | |
|---|---|
| FP-I | |
| FP-II | |
| BP-I-A | |
| BP-I-B | |
| BP-II-in | |
| BP-II-A-in | |
| BP-II-B-in | |
| BP-II-out | |
| BP-II-B | |
| BP-III | |
| BP-IV | |
| BP-V | |
Kinase-ligand interactions
■ 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 716 | 2 V 717 | 3 L 718 | 4 S 719 | 5 S 720 | 6 G 721 | 7 A 722 | 8 F 723 | 9 G 724 | 10 T 725 | 11 V 726 | 12 Y 727 | 13 K 728 | 14 V 742 | 15 A 743 | 16 I 744 | 17 K 745 | 18 E 746 | 19 L 747 | 20 E 758 |
| ■ | ■ | ■ | ■ | ■ | ■ | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 I 759 | 22 L 760 | 23 D 761 | 24 E 762 | 25 A 763 | 26 Y 764 | 27 V 765 | 28 M 766 | 29 A 767 | 30 S 768 | 31 V 769 | 32 D 770 | 33 P 772 | 34 H 773 | 35 V 774 | 36 C 775 | 37 R 776 | 38 L 777 | 39 L 778 | 40 G 779 |
| ■ | ■ | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 I 780 | 42 Q 787 | 43 L 788 | 44 I 789 | 45 T 790 | 46 Q 791 | 47 L 792 | 48 M 793 | 49 P 794 | 50 F 795 | 51 G 796 | 52 C 797 | 53 L 798 | 54 L 799 | 55 D 800 | 56 Y 801 | 57 V 802 | 58 R 803 | 59 E 804 | 60 Y 827 |
| ■ | ■ | ■ | ■▲ | ■ | ■ | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 828 | 62 E 829 | 63 D 830 | 64 R 831 | 65 R 832 | 66 L 833 | 67 V 834 | 68 H 835 | 69 R 836 | 70 D 837 | 71 L 838 | 72 A 839 | 73 A 840 | 74 R 841 | 75 N 842 | 76 V 843 | 77 L 844 | 78 V 845 | 79 I 853 | 80 T 854 |
| ■ | ■ | ■ | ■ | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 855 | 82 F 856 | 83 G 857 | 84 L 858 | 85 A 859 | |||||||||||||||
| ■ | |||||||||||||||||||
Binding affinities
Ligand not found in ChEMBL.