scPDB - 2fgi entry

Protein Data Bank Entry:

PDB ID : 2fgi

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 1998-09-15

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:	36.610
Number of residues:	38
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.077	735.750

% Hydrophobic	% Polar
50.46	49.54
According to VolSite

Ligand :

HET Code:	PD1
Formula:	C28H42N7O3
Molecular weight:	524.678 g/mol
DrugBank ID:	-
Buried Surface Area:	51.19 %
Polar Surface area:	114.73 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	4
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	13

Mass center Coordinates

X	Y	Z
7.47568	5.08842	20.8009

Binding mode :

What is Poseview ?

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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
C8	CD1	LEU- 484	4.33	0	Hydrophobic	false
C28	CB	LEU- 484	4.43	0	Hydrophobic	false
C14	CG1	VAL- 492	4.42	0	Hydrophobic	false
C21	CG2	VAL- 492	4.22	0	Hydrophobic	false
C27	CG2	VAL- 492	4.3	0	Hydrophobic	false
C11	CB	ALA- 512	3.81	0	Hydrophobic	false
C23	CD	LYS- 514	3.48	0	Hydrophobic	false
C20	CD	LYS- 514	3.62	0	Hydrophobic	false
C23	CG	GLU- 531	4.48	0	Hydrophobic	false
C19	CE	MET- 535	3.97	0	Hydrophobic	false
C22	SD	MET- 535	3.7	0	Hydrophobic	false
C23	CE	MET- 535	3.24	0	Hydrophobic	false
C13	CG2	ILE- 545	4.43	0	Hydrophobic	false
C22	CB	ILE- 545	3.84	0	Hydrophobic	false
C17	CG2	ILE- 545	3.69	0	Hydrophobic	false
C23	CG1	VAL- 559	3.6	0	Hydrophobic	false
C19	CG1	VAL- 561	4.19	0	Hydrophobic	false
C23	CG1	VAL- 561	3.57	0	Hydrophobic	false
C21	CG2	VAL- 561	3.52	0	Hydrophobic	false
N3	N	ALA- 564	2.76	154.52	H-Bond (Protein Donor)	false
C17	CD1	LEU- 630	4.41	0	Hydrophobic	false
C11	CD1	LEU- 630	3.43	0	Hydrophobic	false
C17	CB	ALA- 640	3.97	0	Hydrophobic	false
O1	N	ASP- 641	2.99	175.39	H-Bond (Protein Donor)	false
C22	CE2	PHE- 642	3.62	0	Hydrophobic	false