scPDB - 1wuu entry

Protein Data Bank Entry:

PDB ID : 1wuu

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2004-12-08

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Galactokinase
ID:	GALK1_HUMAN
AC:	P51570
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.1.6

Chains:

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

Ligand binding site composition:

B-Factor:	49.861
Number of residues:	43
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	2
Water Molecules:	3
Cofactors:
Metals:	MG

Cavity properties

Ligandability	Volume (Å3)
0.636	631.125

% Hydrophobic	% Polar
52.41	47.59
According to VolSite

Ligand :

HET Code:	ANP
Formula:	C10H13N6O12P3
Molecular weight:	502.164 g/mol
DrugBank ID:	-
Buried Surface Area:	66.41 %
Polar Surface area:	322.68 Å2

Number of
H-Bond Acceptors:	16
H-Bond Donors:	4
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
63.9666	62.1238	38.0582

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
O3G	CZ	ARG- 37	3.46	0	Ionic (Protein Cationic)	false
C2'	CB	TRP- 106	4.07	0	Hydrophobic	false
C4'	CE1	TYR- 109	3.83	0	Hydrophobic	false
C1'	CE1	TYR- 109	3.4	0	Hydrophobic	false
C3'	CB	LEU- 135	3.76	0	Hydrophobic	false
C2'	CD1	LEU- 135	4.4	0	Hydrophobic	false
O2B	N	GLY- 137	3.13	132.62	H-Bond (Protein Donor)	false
O2B	N	SER- 141	3.25	157.52	H-Bond (Protein Donor)	false
C5'	CB	SER- 141	4.26	0	Hydrophobic	false
O1B	N	SER- 142	3.19	143.53	H-Bond (Protein Donor)	false
C5'	CB	SER- 142	3.94	0	Hydrophobic	false
C1'	CD2	LEU- 145	4.37	0	Hydrophobic	false
O3'	NH2	ARG- 228	3.11	151.01	H-Bond (Protein Donor)	false
O2G	N	GLY- 346	2.98	178.37	H-Bond (Protein Donor)	false
O1G	MG	MG- 394	2.08	0	Metal Acceptor	false
O1B	MG	MG- 394	2.65	0	Metal Acceptor	false
O2A	MG	MG- 394	2.74	0	Metal Acceptor	false
O2B	O	HOH- 442	2.63	179.96	H-Bond (Protein Donor)	false