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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Protein Data Bank Entry:

1jqh

2.100 Å

X-ray

2001-08-07

Interactomes:
Molecular Function:
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
C100 %


Ligand binding site composition:

B-Factor:40.295
Number of residues:30
Including
Standard Amino Acids: 29
Non Standard Amino Acids: 0
Water Molecules: 1
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.936776.250

% Hydrophobic% Polar
46.0953.91
According to VolSite

Ligand :
1jqh_3 Structure
HET Code: ANP
Formula: C10H13N6O12P3
Molecular weight: 502.164 g/mol
DrugBank ID: -
Buried Surface Area:47.74 %
Polar Surface area: 322.68 Å2
Number of
H-Bond Acceptors: 16
H-Bond Donors: 4
Rings: 3
Aromatic rings: 2
Anionic atoms: 4
Cationic atoms: 0
Rule of Five Violation: 2
Rotatable Bonds: 8

Mass center Coordinates

XYZ
6.2853543.6324-7.23732


Binding mode :
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Binding mode
BioSolveIT 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
BioSolveIT


LigandProteinInteraction
AtomAtomResidueDistance
(Å)
Angle (°)Type
C1'CBLEU- 10054.40Hydrophobic
O2BNSER- 10092.72138.13H-Bond
(Protein Donor)
C1'CG1VAL- 10134.190Hydrophobic
C5'CG2VAL- 10133.780Hydrophobic
O1BNZLYS- 10332.53120.78H-Bond
(Protein Donor)
O1BNZLYS- 10332.530Ionic
(Protein Cationic)
N6OGLU- 10802.77152.85H-Bond
(Ligand Donor)
N1NMET- 10822.82154.19H-Bond
(Protein Donor)
O3GNZLYS- 11713.710Ionic
(Protein Cationic)