scPDB - 3g7f entry

Protein Data Bank Entry:

PDB ID : 3g7f

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2009-02-09

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Reaction center protein L chain
ID:	RCEL_BLAVI
AC:	P06009
Organism:	Blastochloris viridis
Reign:	Bacteria
TaxID:	1079
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
L	89 %
M	11 %

Ligand binding site composition:

B-Factor:	26.050
Number of residues:	31
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	3
Water Molecules:	2
Cofactors:
Metals:	FE2

Cavity properties

Ligandability	Volume (Å3)
1.340	367.875

% Hydrophobic	% Polar
69.72	30.28
According to VolSite

Ligand :

HET Code:	UQ1
Formula:	C14H18O4
Molecular weight:	250.290 g/mol
DrugBank ID:	DB08689
Buried Surface Area:	70.98 %
Polar Surface area:	52.6 Å2

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

Mass center Coordinates

X	Y	Z
129.863	69.3752	-2.83561

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
CM5	CB	LEU- 189	3.64	0	Hydrophobic	false
O4	ND1	HIS- 190	2.8	150.19	H-Bond (Protein Donor)	false
CM5	CB	HIS- 190	4.06	0	Hydrophobic	false
CM2	CD2	LEU- 193	4.17	0	Hydrophobic	false
CM3	CD2	LEU- 193	3.61	0	Hydrophobic	false
CM3	CD1	ILE- 194	3.82	0	Hydrophobic	false
CM2	CB	GLU- 212	4.02	0	Hydrophobic	false
CM5	CE2	PHE- 216	3.85	0	Hydrophobic	false
C7	CD2	PHE- 216	3.63	0	Hydrophobic	false
C10	CG2	VAL- 220	4.15	0	Hydrophobic	false
C10	CD2	TYR- 222	4.24	0	Hydrophobic	false
O1	OG	SER- 223	3.33	163.86	H-Bond (Protein Donor)	false
O2	OG	SER- 223	3.28	126.01	H-Bond (Protein Donor)	false
O1	N	ILE- 224	2.86	140.34	H-Bond (Protein Donor)	false
C11	CB	ILE- 224	4.2	0	Hydrophobic	false
O2	N	GLY- 225	3.04	133.55	H-Bond (Protein Donor)	false
CM3	CG2	ILE- 229	3.95	0	Hydrophobic	false
CM5	CD1	ILE- 229	3.89	0	Hydrophobic	false
C11	CD2	LEU- 232	4.21	0	Hydrophobic	false