scPDB - 2gm1 entry

Protein Data Bank Entry:

PDB ID : 2gm1

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2006-04-05

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
D	100 %

Ligand binding site composition:

B-Factor:	25.603
Number of residues:	35
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.526	597.375

% Hydrophobic	% Polar
49.72	50.28
According to VolSite

Ligand :

HET Code:	2AZ
Formula:	C28H31ClN5O2
Molecular weight:	505.031 g/mol
DrugBank ID:	-
Buried Surface Area:	70.53 %
Polar Surface area:	85.55 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	9

Mass center Coordinates

X	Y	Z
39.5556	39.4009	85.223

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
CL2	CG	GLU- 116	4.09	0	Hydrophobic	false
C23	CB	GLU- 116	4.28	0	Hydrophobic	false
N48	OE1	GLU- 116	2.61	163.46	H-Bond (Ligand Donor)	false
N48	OE1	GLU- 116	2.61	0	Ionic (Ligand Cationic)	false
C59	CB	ARG- 119	3.74	0	Hydrophobic	false
C29	CB	TRP- 127	3.93	0	Hydrophobic	false
C63	CB	TRP- 127	3.9	0	Hydrophobic	false
C31	CE3	TRP- 127	3.44	0	Hydrophobic	false
C63	CB	ASP- 130	3.78	0	Hydrophobic	false
C63	CB	ALA- 133	4.01	0	Hydrophobic	false
C35	CG2	ILE- 136	4.41	0	Hydrophobic	false
CL2	CD1	ILE- 136	3.32	0	Hydrophobic	false
C23	CG	PRO- 137	4.08	0	Hydrophobic	false
C29	CB	PRO- 137	3.77	0	Hydrophobic	false
C33	CG1	VAL- 210	3.8	0	Hydrophobic	false
C6	CE2	TYR- 211	3.46	0	Hydrophobic	false
C1	CB	LEU- 214	4.15	0	Hydrophobic	false
C35	CD1	LEU- 214	3.54	0	Hydrophobic	false
C1	CB	GLU- 215	4.1	0	Hydrophobic	false
C42	CB	ALA- 218	4.42	0	Hydrophobic	false
CL2	CD2	PHE- 239	4.03	0	Hydrophobic	false