scPDB - 1lel entry

Protein Data Bank Entry:

PDB ID : 1lel

Resolution :2.900 Å

Experimental Method : X-ray

Deposition Date : 2002-04-10

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Avidin
ID:	AVID_CHICK
AC:	P02701
Organism:	Gallus gallus
Reign:	Eukaryota
TaxID:	9031
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	43.535
Number of residues:	23
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.680	263.250

% Hydrophobic	% Polar
56.41	43.59
According to VolSite

Ligand :

HET Code:	BH7
Formula:	C16H26N3O4S
Molecular weight:	356.460 g/mol
DrugBank ID:	DB03139
Buried Surface Area:	39.05 %
Polar Surface area:	135.66 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	11

Mass center Coordinates

X	Y	Z
26.1431	40.6827	1.46275

Binding mode :

What is Poseview ?

2D View
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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
O9	ND2	ASN- 12	3.25	128.31	H-Bond (Protein Donor)	false
O9	OH	TYR- 33	2.89	158.31	H-Bond (Protein Donor)	false
S7	CZ2	TRP- 70	3.95	0	Hydrophobic	false
C10	CH2	TRP- 70	4.33	0	Hydrophobic	false
C11	CZ2	TRP- 70	3.81	0	Hydrophobic	false
C13	CD2	TRP- 70	4.21	0	Hydrophobic	false
C12	CZ	PHE- 72	3.48	0	Hydrophobic	false
O15	OG	SER- 73	3.39	158.51	H-Bond (Protein Donor)	false
S7	CG2	THR- 77	4.04	0	Hydrophobic	false
C6	CD2	TRP- 97	3.29	0	Hydrophobic	false
S7	CD1	LEU- 99	4.38	0	Hydrophobic	false
C11	CD1	LEU- 99	4.28	0	Hydrophobic	false
O24	CZ	ARG- 114	3.7	0	Ionic (Protein Cationic)	false
O24	NH2	ARG- 114	2.93	170.99	H-Bond (Protein Donor)	false