scPDB - 1z3w entry

Protein Data Bank Entry:

PDB ID : 1z3w

Resolution :1.700 Å

Experimental Method : X-ray

Deposition Date : 2005-03-14

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Glucanase
ID:	Q7LIJ0_PHACH
AC:	Q7LIJ0
Organism:	Phanerochaete chrysosporium
Reign:	Eukaryota
TaxID:	5306
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	17.178
Number of residues:	32
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	4
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.718	1650.375

% Hydrophobic	% Polar
34.97	65.03
According to VolSite

Ligand :

HET Code:	IDC
Formula:	C14H22N2O9
Molecular weight:	362.332 g/mol
DrugBank ID:	DB02017
Buried Surface Area:	61.18 %
Polar Surface area:	177.89 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	7
Rings:	3
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
3.3316	10.7591	23.5616

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
O3A	OE1	GLU- 212	2.74	154.36	H-Bond (Ligand Donor)	false
O4A	OE2	GLU- 212	2.64	146.83	H-Bond (Ligand Donor)	false
O3A	NE2	HIS- 223	2.95	135.77	H-Bond (Protein Donor)	false
O3B	NH1	ARG- 240	3.35	136.12	H-Bond (Protein Donor)	false
O3B	NH2	ARG- 240	3.07	147.77	H-Bond (Protein Donor)	false
O2A	O	ASP- 248	2.75	145.43	H-Bond (Ligand Donor)	false
C5B	CB	ASP- 248	4.15	0	Hydrophobic	false
C6A	CH2	TRP- 364	4.26	0	Hydrophobic	false
C1A	CE3	TRP- 373	4.09	0	Hydrophobic	false
C3A	CZ3	TRP- 373	4.08	0	Hydrophobic	false
C4A	CH2	TRP- 373	4.09	0	Hydrophobic	false
C5A	CZ2	TRP- 373	3.6	0	Hydrophobic	false
C6A	CE2	TRP- 373	4.02	0	Hydrophobic	false
C2B	CB	TRP- 373	4.46	0	Hydrophobic	false
C2B	CE2	TYR- 378	3.61	0	Hydrophobic	false
O6B	NH1	ARG- 391	2.85	137.74	H-Bond (Protein Donor)	false
O3A	O	HOH- 716	2.92	128.04	H-Bond (Protein Donor)	false