scPDB - 1z5u entry

Protein Data Bank Entry:

PDB ID : 1z5u

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2005-03-20

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Class B acid phosphatase
ID:	APHA_SALTM
AC:	Q540U1
Organism:	Salmonella typhimurium
Reign:	Bacteria
TaxID:	90371
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	27.513
Number of residues:	31
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	MG

Cavity properties

Ligandability	Volume (Å3)
0.575	526.500

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

Ligand :

HET Code:	CMP
Formula:	C10H11N5O6P
Molecular weight:	328.198 g/mol
DrugBank ID:	DB02527
Buried Surface Area:	54.69 %
Polar Surface area:	167.48 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	2
Rings:	4
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	1

Mass center Coordinates

X	Y	Z
25.6027	-9.35332	75.3037

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'	CB	ASP- 48	4.36	0	Hydrophobic	false
C4'	CZ	PHE- 58	4.33	0	Hydrophobic	false
C1'	CE2	PHE- 58	3.65	0	Hydrophobic	false
C5'	CH2	TRP- 79	4.35	0	Hydrophobic	false
O2P	N	GLY- 115	2.9	136	H-Bond (Protein Donor)	false
C5'	CG	ARG- 116	4.47	0	Hydrophobic	false
N1	OG1	THR- 194	2.55	150.36	H-Bond (Protein Donor)	false
C2'	CE2	TYR- 195	3.61	0	Hydrophobic	false
O2P	O	HOH- 510	3.22	179.97	H-Bond (Protein Donor)	false