scPDB - 1u0z entry

Protein Data Bank Entry:

PDB ID : 1u0z

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2004-07-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Endoplasmin
ID:	ENPL_CANLF
AC:	P41148
Organism:	Canis lupus familiaris
Reign:	Eukaryota
TaxID:	9615
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	25.962
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.170	570.375

% Hydrophobic	% Polar
46.75	53.25
According to VolSite

Ligand :

HET Code:	RDC
Formula:	C18H16ClO6
Molecular weight:	363.769 g/mol
DrugBank ID:	DB03758
Buried Surface Area:	67.28 %
Polar Surface area:	99.19 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	1
Rings:	3
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	0

Mass center Coordinates

X	Y	Z
-143.208	-38.0575	90.5979

Binding mode :

What is Poseview ?

2D View
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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
C5	CB	ASN- 107	3.52	0	Hydrophobic	false
C14	CB	ASP- 110	3.53	0	Hydrophobic	false
C3	CB	ALA- 111	4.08	0	Hydrophobic	false
C16	CB	ALA- 111	4.14	0	Hydrophobic	false
O6	NZ	LYS- 114	3.18	125.66	H-Bond (Protein Donor)	false
C15	CD	LYS- 114	3.54	0	Hydrophobic	false
O3	OD2	ASP- 149	2.55	156.16	H-Bond (Ligand Donor)	false
C16	CG1	VAL- 152	3.81	0	Hydrophobic	false
C8	CE	MET- 154	3.58	0	Hydrophobic	false
C7	CE	MET- 154	3.84	0	Hydrophobic	false
C18	CG	MET- 154	3.69	0	Hydrophobic	false
C8	CD2	LEU- 163	4.11	0	Hydrophobic	false
CL1	CD2	LEU- 163	4.18	0	Hydrophobic	false
CL1	CG	PHE- 199	3.51	0	Hydrophobic	false
C3	CB	THR- 245	4.17	0	Hydrophobic	false
C4	CG2	THR- 245	4.44	0	Hydrophobic	false
O2	OG1	THR- 245	3.35	143.09	H-Bond (Protein Donor)	false
C5	CD1	ILE- 247	3.67	0	Hydrophobic	false