scPDB - 1agw entry

Protein Data Bank Entry:

PDB ID : 1agw

Resolution :2.400 Å

Experimental Method : X-ray

Deposition Date : 1997-03-25

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:	31.247
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.050	408.375

% Hydrophobic	% Polar
53.72	46.28
According to VolSite

Ligand :

HET Code:	SU2
Formula:	C20H21N3O2
Molecular weight:	335.400 g/mol
DrugBank ID:	DB02058
Buried Surface Area:	44.28 %
Polar Surface area:	52.65 Å2

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

Mass center Coordinates

X	Y	Z
9.07212	3.7096	23.7067

Binding mode :

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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
C10	CD1	LEU- 484	3.82	0	Hydrophobic	false
C2'	CB	LEU- 484	3.77	0	Hydrophobic	false
C5'	CD2	LEU- 484	3.95	0	Hydrophobic	false
O2	N	ALA- 564	2.83	170.07	H-Bond (Protein Donor)	false