scPDB - 2oj9 entry

Protein Data Bank Entry:

PDB ID : 2oj9

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2007-01-12

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Insulin-like growth factor 1 receptor
ID:	IGF1R_HUMAN
AC:	P08069
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:	28.420
Number of residues:	30
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.238	715.500

% Hydrophobic	% Polar
54.72	45.28
According to VolSite

Ligand :

HET Code:	BMI
Formula:	C22H19N7O
Molecular weight:	397.433 g/mol
DrugBank ID:	DB07474
Buried Surface Area:	60.06 %
Polar Surface area:	100.52 Å2

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

Mass center Coordinates

X	Y	Z
5.51397	-6.49043	21.1816

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
C13	CD2	LEU- 975	3.91	0	Hydrophobic	false
C16	CD1	LEU- 975	3.79	0	Hydrophobic	false
C19	CB	LEU- 975	3.84	0	Hydrophobic	false
C21	CB	VAL- 983	4.18	0	Hydrophobic	false
C4	CD	LYS- 1003	4.4	0	Hydrophobic	false
N1	O	GLU- 1050	2.85	167.32	H-Bond (Ligand Donor)	false
O	N	MET- 1052	2.54	161.94	H-Bond (Protein Donor)	false
N6	O	MET- 1052	3.02	141.48	H-Bond (Ligand Donor)	false
C4	SD	MET- 1112	4.36	0	Hydrophobic	false
C16	CE	MET- 1112	4.2	0	Hydrophobic	false
C4	CE	MET- 1126	4.1	0	Hydrophobic	false