scPDB - 1wtg entry

Protein Data Bank Entry:

PDB ID : 1wtg

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 2004-11-23

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:	11.614
Number of residues:	40
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.411	283.500

% Hydrophobic	% Polar
36.90	63.10
According to VolSite

Ligand :

HET Code:	3BP
Formula:	C30H37N6O5S
Molecular weight:	593.717 g/mol
DrugBank ID:	-
Buried Surface Area:	54.6 %
Polar Surface area:	207.44 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	6
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	15

Mass center Coordinates

X	Y	Z
36.3184	6.12181	11.2424

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
N3	OD2	ASP- 60	2.92	157.02	H-Bond (Ligand Donor)	false
N3	O	THR- 98	2.96	151.79	H-Bond (Ligand Donor)	false
C7	CG	PRO- 170	3.76	0	Hydrophobic	false
C21	CB	SER- 170	3.73	0	Hydrophobic	false
C26	OD2	ASP- 189	3.59	0	Ionic (Ligand Cationic)	false
C26	OD1	ASP- 189	3.78	0	Ionic (Ligand Cationic)	false
N1	OD2	ASP- 189	2.77	156.54	H-Bond (Ligand Donor)	false
N2	OD1	ASP- 189	2.93	157.55	H-Bond (Ligand Donor)	false
C16	CG	LYS- 192	3.81	0	Hydrophobic	false
C23	CG1	VAL- 213	3.75	0	Hydrophobic	false
N31	O	SER- 214	2.86	137.63	H-Bond (Ligand Donor)	false
C1	CE3	TRP- 215	3.89	0	Hydrophobic	false
O1	N	GLY- 216	3.16	162.07	H-Bond (Protein Donor)	false
N4	O	GLY- 216	2.82	133.05	H-Bond (Ligand Donor)	false
C8	CG	GLN- 217	4.42	0	Hydrophobic	false
C4	CB	GLN- 217	4.31	0	Hydrophobic	false
N1	O	GLY- 219	2.9	153.33	H-Bond (Ligand Donor)	false
O3	N	GLY- 219	2.76	157.98	H-Bond (Protein Donor)	false
C17	SG	CYS- 220	4.35	0	Hydrophobic	false