scPDB - 3ctj entry

Protein Data Bank Entry:

PDB ID : 3ctj

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2008-04-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Hepatocyte growth factor receptor
ID:	MET_HUMAN
AC:	P08581
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.10.1

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	48.568
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.476	823.500

% Hydrophobic	% Polar
63.11	36.89
According to VolSite

Ligand :

HET Code:	320
Formula:	C22H16F2N4O3
Molecular weight:	422.384 g/mol
DrugBank ID:	DB06997
Buried Surface Area:	67.65 %
Polar Surface area:	96.11 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	3
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
-0.470194	7.50645	55.0992

Binding mode :

What is Poseview ?

2D View
3D View

Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C1	CD1	ILE- 1084	4.45	0	Hydrophobic	false
F17	CG2	VAL- 1092	3.46	0	Hydrophobic	false
C5	CB	ALA- 1108	3.71	0	Hydrophobic	false
F17	CG	LYS- 1110	4.41	0	Hydrophobic	false
C22	CG2	ILE- 1130	3.85	0	Hydrophobic	false
C22	SD	MET- 1131	3.65	0	Hydrophobic	false
C30	CG	MET- 1131	3.72	0	Hydrophobic	false
C29	CG1	VAL- 1139	4.21	0	Hydrophobic	false
C13	CD2	LEU- 1140	3.87	0	Hydrophobic	false
C15	CD1	LEU- 1157	3.36	0	Hydrophobic	false
N3	N	MET- 1160	2.96	144.47	H-Bond (Protein Donor)	false
N9	O	MET- 1160	3.13	140.34	H-Bond (Ligand Donor)	false
F31	CD1	LEU- 1195	3.32	0	Hydrophobic	false
F31	CE2	PHE- 1200	4.27	0	Hydrophobic	false
C12	SD	MET- 1211	3.91	0	Hydrophobic	false
C1	CE	MET- 1211	3.44	0	Hydrophobic	false
F31	CG1	VAL- 1220	3.29	0	Hydrophobic	false
C13	CB	ALA- 1221	4.24	0	Hydrophobic	false
O25	N	ASP- 1222	2.89	146.75	H-Bond (Protein Donor)	false
N18	O	ASP- 1222	2.97	126.91	H-Bond (Ligand Donor)	false
C26	CB	ASP- 1222	3.5	0	Hydrophobic	false