scPDB - 2x7c entry

Protein Data Bank Entry:

PDB ID : 2x7c

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2010-02-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Kinesin-like protein KIF11
ID:	KIF11_HUMAN
AC:	P52732
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:	13.421
Number of residues:	27
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.865	590.625

% Hydrophobic	% Polar
50.29	49.71
According to VolSite

Ligand :

HET Code:	KZ9
Formula:	C14H14N2O2S
Molecular weight:	274.338 g/mol
DrugBank ID:	-
Buried Surface Area:	73.29 %
Polar Surface area:	93.45 Å2

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

Mass center Coordinates

X	Y	Z
-6.38984	14.9484	30.8911

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
CAS	CB	GLU- 116	4.45	0	Hydrophobic	false
NAL	O	GLU- 116	2.76	153.98	H-Bond (Ligand Donor)	false
OAB	O	GLU- 118	2.69	160.17	H-Bond (Ligand Donor)	false
CAI	CG	ARG- 119	4.4	0	Hydrophobic	false
CAQ	CD	ARG- 119	3.4	0	Hydrophobic	false
CAE	CB	TRP- 127	3.97	0	Hydrophobic	false
CAQ	CB	ASP- 130	4.47	0	Hydrophobic	false
CAQ	CB	ALA- 133	3.54	0	Hydrophobic	false
CAG	CG	PRO- 137	4.47	0	Hydrophobic	false
CAD	CB	PRO- 137	3.48	0	Hydrophobic	false
CAF	CG	PRO- 137	3.7	0	Hydrophobic	false
CAH	CZ	TYR- 211	4.2	0	Hydrophobic	false
CAF	CD1	LEU- 214	4.04	0	Hydrophobic	false
CAJ	CB	LEU- 214	4.16	0	Hydrophobic	false
CAH	CG	GLU- 215	4.31	0	Hydrophobic	false
CAJ	CB	ALA- 218	3.76	0	Hydrophobic	false