scPDB - 3mx5 entry

Protein Data Bank Entry:

PDB ID : 3mx5

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2010-05-06

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Nucleoprotein
ID:	NCAP_LASSJ
AC:	P13699
Organism:	Lassa virus
Reign:	Viruses
TaxID:	11622
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	48.835
Number of residues:	36
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.466	1984.500

% Hydrophobic	% Polar
36.56	63.44
According to VolSite

Ligand :

HET Code:	UTP
Formula:	C9H11N2O15P3
Molecular weight:	480.109 g/mol
DrugBank ID:	DB04005
Buried Surface Area:	54.99 %
Polar Surface area:	299.67 Å2

Number of
H-Bond Acceptors:	15
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
17.4281	26.9113	2.04169

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
C2'	CG	GLU- 117	4.03	0	Hydrophobic	false
C1'	CB	PHE- 176	4.24	0	Hydrophobic	false
O1B	N	THR- 178	3.12	155.27	H-Bond (Protein Donor)	false
O1B	OG1	THR- 178	3.18	152.33	H-Bond (Protein Donor)	false
O2'	N	ASN- 240	2.96	164.8	H-Bond (Protein Donor)	false
O2B	NZ	LYS- 253	3.29	122.91	H-Bond (Protein Donor)	false
O3B	NZ	LYS- 253	2.92	170.8	H-Bond (Protein Donor)	false
O2B	NZ	LYS- 253	3.29	0	Ionic (Protein Cationic)	false
O1A	CZ	ARG- 300	3.29	0	Ionic (Protein Cationic)	false
O3A	NZ	LYS- 309	3.36	126.25	H-Bond (Protein Donor)	false
O3B	NZ	LYS- 309	3.05	168.84	H-Bond (Protein Donor)	false
O2B	NZ	LYS- 309	3.61	0	Ionic (Protein Cationic)	false
O2B	CZ	ARG- 323	3.87	0	Ionic (Protein Cationic)	false
O2B	NH1	ARG- 323	2.76	138.61	H-Bond (Protein Donor)	false