scPDB - 2ft9 entry

Protein Data Bank Entry:

PDB ID : 2ft9

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2006-01-24

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Fatty acid-binding protein 2, liver
ID:	FABP2_AMBME
AC:	P81400
Organism:	Ambystoma mexicanum
Reign:	Eukaryota
TaxID:	8296
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	46.916
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.387	1265.625

% Hydrophobic	% Polar
55.47	44.53
According to VolSite

Ligand :

HET Code:	CHD
Formula:	C24H39O5
Molecular weight:	407.563 g/mol
DrugBank ID:	DB02659
Buried Surface Area:	49.92 %
Polar Surface area:	100.82 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	4
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
-5.48021	-32.2708	-18.4899

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
C1	CE1	TYR- 14	4.33	0	Hydrophobic	false
C1	CE2	PHE- 17	4	0	Hydrophobic	false
C11	CD2	LEU- 18	3.79	0	Hydrophobic	false
C19	CD2	LEU- 18	3.87	0	Hydrophobic	false
C19	CG1	VAL- 21	4.11	0	Hydrophobic	false
C19	CD1	LEU- 23	3.73	0	Hydrophobic	false
C18	CG2	ILE- 27	4.3	0	Hydrophobic	false
C18	CB	ALA- 31	4.24	0	Hydrophobic	false
C21	CB	ALA- 31	4.05	0	Hydrophobic	false
C12	CB	ALA- 31	4.07	0	Hydrophobic	false
C21	CD1	ILE- 34	3.71	0	Hydrophobic	false
C23	CB	THR- 53	4.08	0	Hydrophobic	false
O26	OG1	THR- 53	2.52	168.25	H-Bond (Protein Donor)	false
O26	N	ASN- 55	3.26	140.74	H-Bond (Protein Donor)	false
C23	CG	GLN- 56	3.92	0	Hydrophobic	false
C6	CB	SER- 72	4.11	0	Hydrophobic	false
C6	CE	MET- 73	4.37	0	Hydrophobic	false
C7	CB	MET- 73	3.94	0	Hydrophobic	false
C8	SD	MET- 73	4.49	0	Hydrophobic	false
C15	CB	MET- 73	4.11	0	Hydrophobic	false
C3	CD2	LEU- 111	4.4	0	Hydrophobic	false
O3	NH1	ARG- 120	2.71	170.18	H-Bond (Protein Donor)	false