scPDB - 1srj entry

Protein Data Bank Entry:

PDB ID : 1srj

Resolution :1.800 Å

Experimental Method : X-ray

Deposition Date : 1994-02-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Streptavidin
ID:	SAV_STRAV
AC:	P22629
Organism:	Streptomyces avidinii
Reign:	Bacteria
TaxID:	1895
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	15.252
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.875	317.250

% Hydrophobic	% Polar
64.89	35.11
According to VolSite

Ligand :

HET Code:	NAB
Formula:	C17H11N2O3
Molecular weight:	291.281 g/mol
DrugBank ID:	DB08252
Buried Surface Area:	73.4 %
Polar Surface area:	85.08 Å2

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

Mass center Coordinates

X	Y	Z
19.5266	4.774	14.7977

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
OXT	ND2	ASN- 23	2.8	138.16	H-Bond (Protein Donor)	false
C2	CD1	LEU- 25	4.35	0	Hydrophobic	false
O	OG	SER- 27	3.26	141.59	H-Bond (Protein Donor)	false
OXT	OG	SER- 27	2.63	150.05	H-Bond (Protein Donor)	false
OXT	OH	TYR- 43	2.65	176.55	H-Bond (Protein Donor)	false
C2'	CB	SER- 45	3.83	0	Hydrophobic	false
C2	CG2	VAL- 47	4.07	0	Hydrophobic	false
O4'	O	ASN- 49	2.68	121.49	H-Bond (Ligand Donor)	false
C3'	CB	ALA- 50	4.12	0	Hydrophobic	false
C5'	CB	ALA- 86	3.28	0	Hydrophobic	false
C7'	CB	SER- 88	4.5	0	Hydrophobic	false
C5	CG2	THR- 90	3.79	0	Hydrophobic	false
C4	CE2	TRP- 108	3.49	0	Hydrophobic	false
C6	CD2	LEU- 110	4.44	0	Hydrophobic	false
C8'	CD2	LEU- 110	3.77	0	Hydrophobic	false