scPDB - 2p2h entry

Protein Data Bank Entry:

PDB ID : 2p2h

Resolution :1.950 Å

Experimental Method : X-ray

Deposition Date : 2007-03-07

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Vascular endothelial growth factor receptor 2
ID:	VGFR2_HUMAN
AC:	P35968
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:	32.205
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.025	513.000

% Hydrophobic	% Polar
51.32	48.68
According to VolSite

Ligand :

HET Code:	994
Formula:	C23H22N6O3
Molecular weight:	430.459 g/mol
DrugBank ID:	-
Buried Surface Area:	53.15 %
Polar Surface area:	103.31 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	2
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
7.58256	19.0922	45.0558

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
C4	CD1	LEU- 840	4.2	0	Hydrophobic	false
C5	CD2	LEU- 840	4.28	0	Hydrophobic	false
C34	CG2	VAL- 848	3.83	0	Hydrophobic	false
C47	CG1	VAL- 848	4.47	0	Hydrophobic	false
C32	CG1	VAL- 848	4.08	0	Hydrophobic	false
C47	CB	ALA- 866	4.4	0	Hydrophobic	false
C46	CB	LYS- 868	3.56	0	Hydrophobic	false
C44	CD1	LEU- 889	3.99	0	Hydrophobic	false
C45	CG1	VAL- 914	4.04	0	Hydrophobic	false
C45	CG2	THR- 916	3.45	0	Hydrophobic	false
N9	O	CYS- 919	2.85	143.49	H-Bond (Ligand Donor)	false
N15	N	CYS- 919	2.67	164.5	H-Bond (Protein Donor)	false
C3	CD2	LEU- 1035	4.45	0	Hydrophobic	false
C28	CD2	LEU- 1035	4.05	0	Hydrophobic	false
C32	CD1	LEU- 1035	4.24	0	Hydrophobic	false
C32	SG	CYS- 1045	3.85	0	Hydrophobic	false
C43	SG	CYS- 1045	4.23	0	Hydrophobic	false