scPDB - 4f65 entry

Protein Data Bank Entry:

PDB ID : 4f65

Resolution :2.260 Å

Experimental Method : X-ray

Deposition Date : 2012-05-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Fibroblast growth factor receptor 1
ID:	FGFR1_HUMAN
AC:	P11362
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	41.391
Number of residues:	34
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.045	705.375

% Hydrophobic	% Polar
47.85	52.15
According to VolSite

Ligand :

HET Code:	0S9
Formula:	C20H20BrN7O
Molecular weight:	454.323 g/mol
DrugBank ID:	-
Buried Surface Area:	66.65 %
Polar Surface area:	104.55 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
17.6916	-3.11462	-12.0913

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
C12	CD2	LEU- 484	4.09	0	Hydrophobic	false
C7	CB	VAL- 492	3.77	0	Hydrophobic	false
C28	CG2	VAL- 492	4.35	0	Hydrophobic	false
C22	CG1	VAL- 492	4.01	0	Hydrophobic	false
C21	CB	ALA- 512	3.84	0	Hydrophobic	false
C26	CD	LYS- 514	4.11	0	Hydrophobic	false
C27	CB	LYS- 514	3.52	0	Hydrophobic	false
DuAr	NZ	LYS- 514	3.55	159.96	Pi/Cation	false
C26	SD	MET- 535	4.16	0	Hydrophobic	false
C21	CG2	ILE- 545	4.27	0	Hydrophobic	false
C24	CG2	ILE- 545	4.25	0	Hydrophobic	false
C27	CG1	VAL- 561	3.67	0	Hydrophobic	false
C21	CG2	VAL- 561	3.44	0	Hydrophobic	false
N19	O	GLU- 562	2.91	170.48	H-Bond (Ligand Donor)	false
BR1	CE1	TYR- 563	4.22	0	Hydrophobic	false
N20	N	ALA- 564	2.82	169.18	H-Bond (Protein Donor)	false
N15	O	ALA- 564	3.02	147.14	H-Bond (Ligand Donor)	false
C1	CD1	LEU- 630	4.06	0	Hydrophobic	false
C21	CD1	LEU- 630	3.84	0	Hydrophobic	false
C24	CB	ALA- 640	4.45	0	Hydrophobic	false
C1	CB	ALA- 640	4.14	0	Hydrophobic	false
N6	O	HOH- 969	2.92	179.98	H-Bond (Protein Donor)	false