scPDB - 2j2p entry

Protein Data Bank Entry:

PDB ID : 2j2p

Resolution :2.800 Å

Experimental Method : X-ray

Deposition Date : 2006-08-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Ficolin-2
ID:	FCN2_HUMAN
AC:	Q15485
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
B	31 %
F	69 %

Ligand binding site composition:

B-Factor:	25.763
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.495	813.375

% Hydrophobic	% Polar
38.59	61.41
According to VolSite

Ligand :

HET Code:	SC2
Formula:	C5H8NO3S
Molecular weight:	162.187 g/mol
DrugBank ID:	DB06151
Buried Surface Area:	45.36 %
Polar Surface area:	108.03 Å2

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

Mass center Coordinates

X	Y	Z
-9.0594	33.5046	-11.9394

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
OXT	NH2	ARG- 122	2.83	138.27	H-Bond (Protein Donor)	false
OXT	NH1	ARG- 122	3.46	121.88	H-Bond (Protein Donor)	false
OXT	CZ	ARG- 122	3.52	0	Ionic (Protein Cationic)	false
CB	CB	SER- 127	4.04	0	Hydrophobic	false
SG	CG2	VAL- 128	4	0	Hydrophobic	false
SG	CB	SER- 143	4.45	0	Hydrophobic	false
CM	CB	LEU- 145	4.09	0	Hydrophobic	false
SG	CG	GLU- 147	4.25	0	Hydrophobic	false