scPDB - 1z4u entry

Protein Data Bank Entry:

PDB ID : 1z4u

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2005-03-16

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Polyprotein
ID:	O93077_9HEPC
AC:	O93077
Organism:	Hepatitis C virus
Reign:	Viruses
TaxID:	11103
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	59.794
Number of residues:	40
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.090	813.375

% Hydrophobic	% Polar
44.81	55.19
According to VolSite

Ligand :

HET Code:	PH9
Formula:	C26H27BrNO4
Molecular weight:	497.401 g/mol
DrugBank ID:	-
Buried Surface Area:	58.86 %
Polar Surface area:	78.46 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	6
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
-10.2932	55.9961	50.419

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
CA3	CG	PRO- 197	3.76	0	Hydrophobic	false
BRA2	CD	ARG- 200	3.89	0	Hydrophobic	false
CA1	CD	ARG- 200	3.59	0	Hydrophobic	false
CB3	CB	ASN- 316	4.29	0	Hydrophobic	false
CB6	CB	CYS- 366	3.96	0	Hydrophobic	false
CB4	SG	CYS- 366	3.56	0	Hydrophobic	false
CA5	CB	SER- 368	3.78	0	Hydrophobic	false
CA4	CD1	LEU- 384	3.47	0	Hydrophobic	false
CB5	CE	MET- 414	4.09	0	Hydrophobic	false
CC2	CG	MET- 414	3.92	0	Hydrophobic	false
CA2	CE	MET- 414	3.68	0	Hydrophobic	false
CC4	CE1	TYR- 415	4.14	0	Hydrophobic	false
CC2	CG1	ILE- 447	4.47	0	Hydrophobic	false
O	N	TYR- 448	2.7	158.64	H-Bond (Protein Donor)	false
BRA2	CZ	TYR- 448	4.35	0	Hydrophobic	false
OC1	OG	SER- 556	3.05	173.22	H-Bond (Protein Donor)	false
OC2	OG	SER- 556	2.94	122.33	H-Bond (Protein Donor)	false