scPDB - 1hi0 entry

Protein Data Bank Entry:

PDB ID : 1hi0

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 2000-12-31

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	RNA-directed RNA polymerase
ID:	RDRP_BPPH6
AC:	P11124
Organism:	Pseudomonas phage phi6
Reign:	Viruses
TaxID:	10879
EC Number:	2.7.7.48

Chains:

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

Ligand binding site composition:

B-Factor:	68.418
Number of residues:	31
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	5
Water Molecules:	0
Cofactors:	GTP
Metals:	MG MG

Cavity properties

Ligandability	Volume (Å3)
0.176	995.625

% Hydrophobic	% Polar
24.07	75.93
According to VolSite

Ligand :

HET Code:	GTP
Formula:	C10H12N5O14P3
Molecular weight:	519.149 g/mol
DrugBank ID:	DB04137
Buried Surface Area:	46.29 %
Polar Surface area:	335.56 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	4
Rings:	3
Aromatic rings:	1
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
11.8837	4.81041	27.7266

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
O1A	NH2	ARG- 204	3.21	131.14	H-Bond (Protein Donor)	false
O5'	NH2	ARG- 204	3.5	121.58	H-Bond (Protein Donor)	false
DuAr	CZ	ARG- 204	3.97	138.15	Pi/Cation	false
C2'	CD1	TYR- 630	4.17	0	Hydrophobic	false
C1'	CE1	TYR- 630	3.42	0	Hydrophobic	false
DuAr	DuAr	TYR- 630	3.93	0	Aromatic Face/Face	false
O3'	O5'	GTP- 667	3.39	123.06	H-Bond (Ligand Donor)	false
O3'	O1A	GTP- 667	2.67	167.35	H-Bond (Ligand Donor)	false
O3'	O2A	GTP- 667	3.31	124.3	H-Bond (Ligand Donor)	false