scPDB - 4gg5 entry

Protein Data Bank Entry:

PDB ID : 4gg5

Resolution :2.420 Å

Experimental Method : X-ray

Deposition Date : 2012-08-05

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:	31.908
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.293	391.500

% Hydrophobic	% Polar
63.79	36.21
According to VolSite

Ligand :

HET Code:	0J3
Formula:	C22H23F3N5O2
Molecular weight:	446.446 g/mol
DrugBank ID:	-
Buried Surface Area:	65.29 %
Polar Surface area:	78.42 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	4
Aromatic rings:	3
Anionic atoms:	1
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
-2.50788	15.9576	30.9921

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
CAQ	CB	ILE- 1084	4.14	0	Hydrophobic	false
CAX	CD1	ILE- 1084	3.75	0	Hydrophobic	false
CAS	CG2	VAL- 1092	3.98	0	Hydrophobic	false
CAZ	CG1	VAL- 1092	4.22	0	Hydrophobic	false
FAF	CB	ALA- 1108	3.6	0	Hydrophobic	false
FAE	CD2	LEU- 1140	3.42	0	Hydrophobic	false
CBF	CD1	LEU- 1157	3.98	0	Hydrophobic	false
FAF	CB	LEU- 1157	3.41	0	Hydrophobic	false
FAD	CB	LEU- 1157	3.67	0	Hydrophobic	false
CAR	CZ	TYR- 1159	3.75	0	Hydrophobic	false
NAT	N	MET- 1160	2.91	156.98	H-Bond (Protein Donor)	false
CAN	CG	MET- 1160	3.88	0	Hydrophobic	false
FAF	CG	MET- 1160	4.39	0	Hydrophobic	false
CAG	CB	ASP- 1164	3.88	0	Hydrophobic	false
FAE	CG	MET- 1211	4.08	0	Hydrophobic	false
CAV	CE	MET- 1211	4.11	0	Hydrophobic	false
CAK	SD	MET- 1211	4.01	0	Hydrophobic	false
CBB	CE	MET- 1211	3.39	0	Hydrophobic	false
CAI	SD	MET- 1211	3.5	0	Hydrophobic	false
CAZ	CE	MET- 1211	3.38	0	Hydrophobic	false
FAE	CB	ALA- 1221	4.34	0	Hydrophobic	false
OAB	N	ASP- 1222	3.01	129.75	H-Bond (Protein Donor)	false
CAS	CE1	TYR- 1230	3.81	0	Hydrophobic	false
CAH	CB	TYR- 1230	4.06	0	Hydrophobic	false
DuAr	DuAr	TYR- 1230	3.9	0	Aromatic Face/Face	false