scPDB - 1af0 entry

Protein Data Bank Entry:

PDB ID : 1af0

Resolution :1.800 Å

Experimental Method : X-ray

Deposition Date : 1997-03-20

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Serralysin
ID:	PRZN_SERMA
AC:	P23694
Organism:	Serratia marcescens
Reign:	Bacteria
TaxID:	615
EC Number:	3.4.24.40

Chains:

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

Ligand binding site composition:

B-Factor:	27.059
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.494	553.500

% Hydrophobic	% Polar
36.59	63.41
According to VolSite

Ligand :

HET Code:	0Z9
Formula:	C17H25N3O5
Molecular weight:	351.397 g/mol
DrugBank ID:	-
Buried Surface Area:	57.93 %
Polar Surface area:	116.76 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	4
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	9

Mass center Coordinates

X	Y	Z
-12.9019	19.8867	35.8703

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
N2	O	ALA- 134	3.21	141.05	H-Bond (Ligand Donor)	false
N	O	ALA- 136	2.83	166.45	H-Bond (Ligand Donor)	false
O	N	ALA- 136	2.96	152.3	H-Bond (Protein Donor)	false
CD1	CD1	LEU- 138	3.34	0	Hydrophobic	false
CD2	CB	ASN- 191	4.32	0	Hydrophobic	false
CB1	CB	ALA- 192	3.61	0	Hydrophobic	false
O1	OH	TYR- 216	2.78	145.62	H-Bond (Protein Donor)	false
O1	ZN	ZN- 472	2.07	0	Metal Acceptor	false
OH	ZN	ZN- 472	2.12	0	Metal Acceptor	false