MolNFT v1 · #177088 · protein
Crystal structure of TIE2-agonistic antibody in complex with human TIE2 FN2-3
7E72 · The chimeric Fab fragment of 3H7 (heavy chain): “Crystal structure of TIE2-agonistic antibody in complex with human TIE2 FN2-3”. X-ray diffraction, 15 pockets (best druggability 0.63). MolNFT v1 #177088 on GenesisL1: 3D structure…
- PDB
- 7E72
- Type
- protein
- Length
- 1,256 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- The chimeric Fab fragment of 3H7 (heavy chain); The chimeric Fab fragment of 3H7 (light…
- EC
- 2.7.10.1
- UniProt
- Q02763
- Pockets
- 15 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | The chimeric Fab fragment of 3H7 (heavy chain) | protein | 218 | 10% helix, 49% strand | — |
| B, D | The chimeric Fab fragment of 3H7 (light chain) | protein | 214 | 6% helix, 50% strand | — |
| E, F | Angiopoietin-1 receptor (EC 2.7.10.1) | protein | 196 | 0% helix, 45% strand | Q02763 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 34 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 341 | 0.63 | 0.79 | 39 | EDO |
| 2 | 217 | 0.56 | 0.79 | 31 | empty |
| 3 | 127 | 0.55 | 0.82 | 23 | EDO |
| 4 | 89 | 0.55 | 0.85 | 19 | EDO |
| 5 | 124 | 0.51 | 0.80 | 18 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1834 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1828 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 742 Ų buried · 10 hydrogen bonds · protein-protein
- C–F · 584 Ų buried · 11 hydrogen bonds · protein-protein
- A–E · 562 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 7E72 · Crystal structure of Tie2-agonistic antibody in complex with human Tie2 Fn2-3 · the same entry in another collection · chain C against C, TM-score 1.00
- Q02763 · AlphaFold monomer V2.0 prediction for angiopoietin-1 receptor (Q02763) · a predicted model of the same protein · chain E against A, TM-score 0.91
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 Q02763
- Elsewhere: RCSB PDB 7E72 · PDBe 7E72 · UniProt Q02763
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