scPDB - 2hk5 entry

Protein Data Bank Entry:

PDB ID : 2hk5

Resolution :2.000 Å

Experimental Method : X-ray

Deposition Date : 2006-07-03

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Tyrosine-protein kinase HCK
ID:	HCK_HUMAN
AC:	P08631
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.10.2

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	18.830
Number of residues:	35
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.340	502.875

% Hydrophobic	% Polar
64.43	35.57
According to VolSite

Ligand :

HET Code:	1BM
Formula:	C24H30N7O
Molecular weight:	432.541 g/mol
DrugBank ID:	-
Buried Surface Area:	64.43 %
Polar Surface area:	92.33 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	4
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	9

Mass center Coordinates

X	Y	Z
47.7899	8.55356	-2.78737

Binding mode :

What is Poseview ?

2D View
3D View

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
C55	CD1	LEU- 251	3.88	0	Hydrophobic	false
C56	CD2	LEU- 251	3.92	0	Hydrophobic	false
C58	CB	LEU- 251	3.94	0	Hydrophobic	false
C49	CD1	LEU- 251	3.83	0	Hydrophobic	false
C9	CG1	VAL- 259	4.34	0	Hydrophobic	false
C27	CG2	VAL- 259	3.92	0	Hydrophobic	false
C16	CD	LYS- 273	3.96	0	Hydrophobic	false
C19	CB	LYS- 273	3.54	0	Hydrophobic	false
O21	OE2	GLU- 288	2.71	156.77	H-Bond (Ligand Donor)	false
C13	SD	MET- 292	3.85	0	Hydrophobic	false
C17	CE	MET- 292	3.99	0	Hydrophobic	false
C14	CG1	VAL- 301	4.45	0	Hydrophobic	false
C16	CG2	ILE- 314	3.72	0	Hydrophobic	false
N3	OG1	THR- 316	3.07	158.16	H-Bond (Ligand Donor)	false
C15	CG2	THR- 316	3.37	0	Hydrophobic	false
C11	CG2	THR- 316	3.53	0	Hydrophobic	false
N51	N	MET- 319	2.86	157.64	H-Bond (Protein Donor)	false
C9	CD1	LEU- 371	4.06	0	Hydrophobic	false
C38	CG	LEU- 371	3.86	0	Hydrophobic	false
C49	CD2	LEU- 371	4.1	0	Hydrophobic	false
C14	CB	ALA- 381	4.43	0	Hydrophobic	false
C38	CB	ALA- 381	3.71	0	Hydrophobic	false
O21	N	ASP- 382	3.14	132.15	H-Bond (Protein Donor)	false