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MolNFT v1 · #115755 · protein

The structure of the NK1 fragment of HGF/SF complexed with caps

5CT2 · Hepatocyte growth factor: “The structure of the NK1 fragment of HGF/SF complexed with caps”. X-ray diffraction, 4 pockets (best druggability 0.71). MolNFT v1 #115755 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5CT2
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
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHepatocyte growth factorprotein17311% helix, 30% strandP14210
BHepatocyte growth factorprotein17312% helix, 30% strandP14210

Ligands and binding sites

  • CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · 2 copies · chains A, 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14980.710.8058empty
22380.580.7953empty
31650.480.7729empty
41210.400.7520empty

Interfaces

1 interface between chains.

  • A–B · 1245 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 5CT2 · The structure of the NK1 fragment of HGF/SF complexed with CAPS · the same entry in another collection · chain A against A, TM-score 1.00

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