MolNFT v1 · #181344 · protein
Structure of the human ALK grd bound to aug
7LS0 · ALK tyrosine kinase receptor fused with ALK and ltk ligand 2: “Structure of the human ALK grd bound to aug”. X-ray diffraction, 1 ligand (NAG), 14 pockets (best druggability 0.81). MolNFT v1 #181344 on GenesisL1: 3D structure…
- PDB
- 7LS0
- Type
- protein
- Length
- 1,446 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALK tyrosine kinase receptor fused with ALK and ltk ligand 2
- EC
- 2.7.10.1
- UniProt
- Q9UM73, Q6UX46
- Ligands
- NAG
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 19% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor fused with ALK and ltk ligand 2 (EC 2.7.10.1) | protein | 361 | 19% helix, 20% strand | Q9UM73, Q6UX46 |
| B | ALK tyrosine kinase receptor fused with ALK and ltk ligand 2 (EC 2.7.10.1) | protein | 362 | 19% helix, 21% strand | Q9UM73, Q6UX46 |
| C | ALK tyrosine kinase receptor fused with ALK and ltk ligand 2 (EC 2.7.10.1) | protein | 362 | 20% helix, 20% strand | Q9UM73, Q6UX46 |
| D | ALK tyrosine kinase receptor fused with ALK and ltk ligand 2 (EC 2.7.10.1) | protein | 361 | 19% helix, 20% strand | Q9UM73, Q6UX46 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains D
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.81 | 0.86 | 100 | CIT |
| 2 | 596 | 0.67 | 0.77 | 59 | empty |
| 3 | 470 | 0.66 | 0.78 | 56 | empty |
| 4 | 195 | 0.64 | 0.84 | 40 | empty |
| 5 | 361 | 0.63 | 0.79 | 39 | empty |
Interfaces
5 interfaces between chains.
- B–D · 894 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 881 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 597 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 259 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 211 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7LS0 · Structure of the Human ALK GRD bound to AUG · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UM73 · AlphaFold monomer V2.0 prediction for ALK tyrosine kinase receptor (Q9UM73) · a predicted model of the same protein · chain D against A, TM-score 0.91
- Q6UX46 · AlphaFold monomer V2.0 prediction for ALK and ltk ligand 2 (Q6UX46) · a predicted model of the same protein · chain B against A, TM-score 0.18
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9UM73
- Every structure of UniProt Q6UX46
- Elsewhere: RCSB PDB 7LS0 · PDBe 7LS0 · UniProt Q9UM73 · UniProt Q6UX46
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