scPDB - 3hz6 entry

Protein Data Bank Entry:

PDB ID : 3hz6

Resolution :1.650 Å

Experimental Method : X-ray

Deposition Date : 2009-06-23

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Xylulokinase
ID:	Q7NWW7_CHRVO
AC:	Q7NWW7
Organism:	Chromobacterium violaceum
Reign:	Bacteria
TaxID:	243365
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	19.808
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.087	438.750

% Hydrophobic	% Polar
63.08	36.92
According to VolSite

Ligand :

HET Code:	ADP
Formula:	C10H12N5O10P2
Molecular weight:	424.177 g/mol
DrugBank ID:	-
Buried Surface Area:	47.39 %
Polar Surface area:	260.7 Å2

Number of
H-Bond Acceptors:	14
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
14.415	13.9265	-1.27252

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
O2B	OG1	THR- 263	2.7	152.15	H-Bond (Protein Donor)	false
O3B	OG1	THR- 263	3.47	133.95	H-Bond (Protein Donor)	false
O3B	N	THR- 263	3.11	146.15	H-Bond (Protein Donor)	false
O3A	N	THR- 263	3.19	147.41	H-Bond (Protein Donor)	false
O2'	O	GLY- 305	2.9	137.67	H-Bond (Ligand Donor)	false
DuAr	DuAr	PHE- 327	3.7	0	Aromatic Face/Face	false
C2'	CZ	PHE- 327	3.61	0	Hydrophobic	false
O1A	N	GLY- 409	2.88	157.92	H-Bond (Protein Donor)	false
O5'	N	GLY- 409	3.38	121.75	H-Bond (Protein Donor)	false