MolNFT v1 · #35998 · protein
Crystal structure of thrombospondin-1 N-terminal domain in P1 form at 1.85A resolution
2ES3: “Crystal structure of thrombospondin-1 N-terminal domain in P1 form at 1.85A resolution”. X-ray diffraction, 3 pockets (best druggability 0.62). MolNFT v1 #35998 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ES3
- Type
- protein
- Length
- 417 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombospondin-1
- UniProt
- P07996
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thrombospondin-1 | protein | 209 | 19% helix, 43% strand | P07996 |
| B | Thrombospondin-1 | protein | 208 | 17% helix, 43% strand | P07996 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.62 | 0.80 | 43 | empty |
| 2 | 188 | 0.50 | 0.77 | 33 | empty |
| 3 | 84 | 0.42 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 533 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2ES3 · Crystal Structure of Thrombospondin-1 N-terminal Domain in P1 Form at 1.85A Resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P07996 · AlphaFold monomer V2.0 prediction for thrombospondin-1 (P07996) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P07996
- Elsewhere: RCSB PDB 2ES3 · PDBe 2ES3 · UniProt P07996
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