scPDB - 3jvv entry

Protein Data Bank Entry:

PDB ID : 3jvv

Resolution :2.600 Å

Experimental Method : X-ray

Deposition Date : 2009-09-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Twitching mobility protein
ID:	PILT_PSEAE
AC:	P24559
Organism:	Pseudomonas aeruginosa
Reign:	Bacteria
TaxID:	208964
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	57.038
Number of residues:	28
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

Cavity properties

Ligandability	Volume (Å3)
0.133	637.875

% Hydrophobic	% Polar
35.45	64.55
According to VolSite

Ligand :

HET Code:	ACP
Formula:	C11H14N5O12P3
Molecular weight:	501.176 g/mol
DrugBank ID:	DB03909
Buried Surface Area:	50.95 %
Polar Surface area:	310.64 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
-51.2519	23.3567	6.39677

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
O3G	CZ	ARG- 82	3.55	0	Ionic (Protein Cationic)	false
O3G	NH2	ARG- 82	3.11	123.47	H-Bond (Protein Donor)	false
O1G	N	GLY- 133	2.76	164.76	H-Bond (Protein Donor)	false
O2B	N	GLY- 135	3.36	154.16	H-Bond (Protein Donor)	false
O3A	N	GLY- 135	2.98	127.39	H-Bond (Protein Donor)	false
O1G	NZ	LYS- 136	3.71	0	Ionic (Protein Cationic)	false
O2G	NZ	LYS- 136	3.56	0	Ionic (Protein Cationic)	false
O2B	NZ	LYS- 136	3.12	0	Ionic (Protein Cationic)	false
O2B	NZ	LYS- 136	3.12	150.9	H-Bond (Protein Donor)	false
O1B	N	SER- 137	2.63	158.2	H-Bond (Protein Donor)	false
O2A	OG1	THR- 138	2.81	165.44	H-Bond (Protein Donor)	false
O2A	N	THR- 138	3.07	161.23	H-Bond (Protein Donor)	false
C1'	CD1	LEU- 268	4.09	0	Hydrophobic	false
O4'	NH2	ARG- 276	3.32	126.72	H-Bond (Protein Donor)	false
O1B	MG	MG- 401	2.76	0	Metal Acceptor	false