scPDB - 1h46 entry

Protein Data Bank Entry:

PDB ID : 1h46

Resolution :1.520 Å

Experimental Method : X-ray

Deposition Date : 2002-10-03

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glucanase
ID:	Q7LHI2_PHACH
AC:	Q7LHI2
Organism:	Phanerochaete chrysosporium
Reign:	Eukaryota
TaxID:	5306
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	20.288
Number of residues:	31
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.672	1765.125

% Hydrophobic	% Polar
34.80	65.20
According to VolSite

Ligand :

HET Code:	RNP
Formula:	C16H19NO2
Molecular weight:	257.328 g/mol
DrugBank ID:	-
Buried Surface Area:	65.39 %
Polar Surface area:	41.82 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
4.68889	7.84311	26.1588

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
C15	CB	ALA- 140	4.23	0	Hydrophobic	false
C15	CE1	TYR- 142	3.57	0	Hydrophobic	false
C16	CE2	TYR- 142	3.99	0	Hydrophobic	false
C16	CB	ASP- 170	4.32	0	Hydrophobic	false
C12	CG	GLN- 172	4.33	0	Hydrophobic	false
N1	OE2	GLU- 207	2.53	153.08	H-Bond (Ligand Donor)	false
N1	OE2	GLU- 207	2.53	0	Ionic (Ligand Cationic)	false
N1	OE1	GLU- 207	3.82	0	Ionic (Ligand Cationic)	false
N1	OE1	GLU- 212	3.93	0	Ionic (Ligand Cationic)	false
N1	OE2	GLU- 212	3.25	0	Ionic (Ligand Cationic)	false
N1	OE2	GLU- 212	3.25	128.65	H-Bond (Ligand Donor)	false
C15	CG	GLU- 212	4.43	0	Hydrophobic	false
C12	CH2	TRP- 364	4.3	0	Hydrophobic	false
C15	CZ2	TRP- 364	4.07	0	Hydrophobic	false
C7	CB	ALA- 368	4.11	0	Hydrophobic	false
C6	CB	ALA- 369	3.35	0	Hydrophobic	false
C4	CB	TRP- 373	4.31	0	Hydrophobic	false
C11	CH2	TRP- 373	3.87	0	Hydrophobic	false