scPDB - 2c4f entry

Protein Data Bank Entry:

PDB ID : 2c4f

Resolution :1.720 Å

Experimental Method : X-ray

Deposition Date : 2005-10-18

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Coagulation factor VII
ID:	FA7_HUMAN
AC:	P08709
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.21.21

Chains:

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

Ligand binding site composition:

B-Factor:	18.418
Number of residues:	41
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.264	293.625

% Hydrophobic	% Polar
37.93	62.07
According to VolSite

Ligand :

HET Code:	GIL
Formula:	C30H36F2N5O5
Molecular weight:	584.634 g/mol
DrugBank ID:	-
Buried Surface Area:	49.86 %
Polar Surface area:	156.67 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	4
Rings:	3
Aromatic rings:	3
Anionic atoms:	1
Cationic atoms:	2
Rule of Five Violation:	1
Rotatable Bonds:	12

Mass center Coordinates

X	Y	Z
30.4716	6.73155	8.4824

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
C30	CB	GLN- 40	4.42	0	Hydrophobic	false
O4	NE2	HIS- 57	2.75	138.69	H-Bond (Protein Donor)	false
C20	CG2	THR- 99	3.75	0	Hydrophobic	false
C18	CG2	THR- 99	3.59	0	Hydrophobic	false
C28	CG2	THR- 151	3.48	0	Hydrophobic	false
C20	CG	PRO- 170	4.18	0	Hydrophobic	false
C7	OD2	ASP- 189	3.56	0	Ionic (Ligand Cationic)	false
C7	OD1	ASP- 189	3.74	0	Ionic (Ligand Cationic)	false
N1	OD2	ASP- 189	2.77	153.09	H-Bond (Ligand Donor)	false
N2	OD2	ASP- 189	3.49	126.49	H-Bond (Ligand Donor)	false
N2	OD1	ASP- 189	2.88	153.49	H-Bond (Ligand Donor)	false
C5	CG	LYS- 192	3.95	0	Hydrophobic	false
C23	CB	LYS- 192	3.62	0	Hydrophobic	false
C26	CD	LYS- 192	3.78	0	Hydrophobic	false
O3	N	GLY- 193	2.83	170.51	H-Bond (Protein Donor)	false
O3	OG	SER- 195	2.66	177.43	H-Bond (Protein Donor)	false
O4	OG	SER- 195	3.33	122.22	H-Bond (Protein Donor)	false
C2	CG1	VAL- 213	3.72	0	Hydrophobic	false
C20	CE3	TRP- 215	3.98	0	Hydrophobic	false
F1	CB	TRP- 215	3.32	0	Hydrophobic	false
C18	CB	TRP- 215	3.29	0	Hydrophobic	false
C6	SG	CYS- 220	4.25	0	Hydrophobic	false
N2	O	HOH- 2136	3.03	134.61	H-Bond (Ligand Donor)	false