scPDB - 2f02 entry

Protein Data Bank Entry:

PDB ID : 2f02

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2005-11-10

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Tagatose-6-phosphate kinase
ID:	LACC_ENTFA
AC:	Q833W9
Organism:	Enterococcus faecalis
Reign:	Bacteria
TaxID:	226185
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	29.290
Number of residues:	36
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.100	415.125

% Hydrophobic	% Polar
60.98	39.02
According to VolSite

Ligand :

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	54.88 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
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
60.1687	17.9844	-17.4385

Binding mode :

What is Poseview ?

2D View
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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	NZ	LYS- 183	2.72	164.83	H-Bond (Protein Donor)	false
O2B	NZ	LYS- 183	2.72	0	Ionic (Protein Cationic)	false
O1B	ND2	ASN- 185	3.24	164.01	H-Bond (Protein Donor)	false
O2A	OG	SER- 223	2.81	135.27	H-Bond (Protein Donor)	false
C5'	CB	SER- 223	3.91	0	Hydrophobic	false
O2A	N	GLY- 225	2.96	157.26	H-Bond (Protein Donor)	false
O3'	O	GLY- 225	3.2	132.32	H-Bond (Ligand Donor)	false
O3'	O	GLY- 228	3.04	122.05	H-Bond (Ligand Donor)	false
C2'	CD1	ILE- 242	3.82	0	Hydrophobic	false
C5'	CB	SER- 253	4.27	0	Hydrophobic	false
C1'	CB	SER- 253	4.35	0	Hydrophobic	false
C5'	CB	THR- 257	4.35	0	Hydrophobic	false
C2'	SD	MET- 279	4.42	0	Hydrophobic	false
C4'	CE	MET- 279	4.32	0	Hydrophobic	false
C1'	CG	MET- 283	4.39	0	Hydrophobic	false