MolNFT v1 · #121176 · protein

Crystal structure of cmet wt with compound 3

5HNI · Hepatocyte growth factor receptor: “Crystal structure of cmet wt with compound 3”. X-ray diffraction, 1 ligand (63B), 8 pockets (best druggability 0.56). MolNFT v1 #121176 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5HNI
Type: protein
Length: 490 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hepatocyte growth factor receptor
EC: 2.7.10.1
UniProt: P08581
Ligands: 63B
Pockets: 8 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X, Y	Hepatocyte growth factor receptor (EC 2.7.10.1)	protein	245	40% helix, 12% strand	P08581

Ligands and binding sites

63B · methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate · ligand · 2 copies · chains X, Y

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	213	0.56	0.78	24	63B
2	227	0.55	0.78	33	empty
3	207	0.54	0.78	25	63B
4	116	0.42	0.76	17	empty
5	131	0.41	0.75	22	empty

Interfaces

1 interface between chains.

X–Y · 545 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5HNI · CRYSTAL STRUCTURE OF CMET WT with compound 3 · the same entry in another collection · chain X against X, 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 P08581
Elsewhere: RCSB PDB 5HNI · PDBe 5HNI · UniProt P08581

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