scPDB - 1e6z entry

Protein Data Bank Entry:

PDB ID : 1e6z

Resolution :1.990 Å

Experimental Method : X-ray

Deposition Date : 2000-08-23

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Chitinase
ID:	Q54276_SERMA
AC:	Q54276
Organism:	Serratia marcescens
Reign:	Bacteria
TaxID:	615
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	14.016
Number of residues:	24
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.926	1252.125

% Hydrophobic	% Polar
48.79	51.21
According to VolSite

Ligand :

HET Code:	NGO
Formula:	C8H13NO5
Molecular weight:	203.193 g/mol
DrugBank ID:	-
Buried Surface Area:	69.88 %
Polar Surface area:	91.51 Å2

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

Mass center Coordinates

X	Y	Z
18.2672	43.606	102.417

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
C8	CE1	TYR- 10	3.26	0	Hydrophobic	false
C3	CZ	PHE- 51	3.96	0	Hydrophobic	false
C8	CZ	PHE- 51	3.67	0	Hydrophobic	false
O3	N	TRP- 97	2.98	163.14	H-Bond (Protein Donor)	false
C8	CB	ALA- 184	4.42	0	Hydrophobic	false
C1	SD	MET- 212	3.48	0	Hydrophobic	false
C1	CE1	TYR- 214	3.88	0	Hydrophobic	false
C6	CE1	TYR- 214	4.33	0	Hydrophobic	false
O1	OH	TYR- 214	3.05	161.47	H-Bond (Protein Donor)	false
O6	OD2	ASP- 215	2.91	158.89	H-Bond (Ligand Donor)	false
C6	CZ	TYR- 292	4.01	0	Hydrophobic	false
C4	CE2	TRP- 403	4.22	0	Hydrophobic	false
C5	CD2	TRP- 403	3.63	0	Hydrophobic	false
C6	CE2	TRP- 403	3.97	0	Hydrophobic	false
C8	CE3	TRP- 403	4.27	0	Hydrophobic	false