MolNFT v1 · #115756 · protein
The structure of the NK1 fragment of HGF/SF complexed with 2FA
5CT3 · Hepatocyte growth factor: “The structure of the NK1 fragment of HGF/SF complexed with 2FA”. X-ray diffraction, 1 ligand (54O), 4 pockets (best druggability 0.68). MolNFT v1 #115756 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5CT3
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hepatocyte growth factor
- UniProt
- P14210
- Ligands
- 54O
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hepatocyte growth factor | protein | 173 | 9% helix, 31% strand | P14210 |
| B | Hepatocyte growth factor | protein | 173 | 11% helix, 30% strand | P14210 |
Ligands and binding sites
- 54O · 3-hydroxypropane-1-sulfonic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.68 | 0.80 | 50 | empty |
| 2 | 278 | 0.54 | 0.76 | 46 | empty |
| 3 | 77 | 0.44 | 0.81 | 24 | empty |
| 4 | 116 | 0.41 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1267 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 5CT3 · The structure of the NK1 fragment of HGF/SF complexed with 2FA · the same entry in another collection · chain A against A, TM-score 1.00
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 P14210
- Elsewhere: RCSB PDB 5CT3 · PDBe 5CT3 · UniProt P14210
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