scPDB - 1zxc entry

Protein Data Bank Entry:

PDB ID : 1zxc

Resolution :2.280 Å

Experimental Method : X-ray

Deposition Date : 2005-06-07

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Disintegrin and metalloproteinase domain-containing protein 17
ID:	ADA17_HUMAN
AC:	P78536
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.24.86

Chains:

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

Ligand binding site composition:

B-Factor:	18.819
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.357	394.875

% Hydrophobic	% Polar
33.33	66.67
According to VolSite

Ligand :

HET Code:	IH6
Formula:	C17H22N2O5S2
Molecular weight:	398.497 g/mol
DrugBank ID:	DB07964
Buried Surface Area:	62.94 %
Polar Surface area:	129.62 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
-5.08627	12.6228	113.713

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
O4	ZN	ZN- 201	2.02	0	Metal Acceptor	false
O5	ZN	ZN- 201	2.08	0	Metal Acceptor	false
C16	CG2	THR- 347	4.11	0	Hydrophobic	false
C1	CD1	LEU- 348	4.44	0	Hydrophobic	false
C9	CB	LEU- 348	4.04	0	Hydrophobic	false
O2	N	LEU- 348	2.69	164.39	H-Bond (Protein Donor)	false
O2	N	GLY- 349	3.47	153.29	H-Bond (Protein Donor)	false
N2	O	GLY- 349	2.86	156.4	H-Bond (Ligand Donor)	false
C17	CD1	LEU- 350	3.58	0	Hydrophobic	false
C1	CB	GLU- 398	3.98	0	Hydrophobic	false
C3	CB	LEU- 401	3.88	0	Hydrophobic	false
C10	CG1	VAL- 402	4.05	0	Hydrophobic	false
C2	CG2	VAL- 402	4.06	0	Hydrophobic	false
C4	CB	HIS- 405	3.77	0	Hydrophobic	false
C5	CB	HIS- 405	3.94	0	Hydrophobic	false
DuAr	DuAr	HIS- 405	3.89	0	Aromatic Face/Face	false
O5	OE2	GLU- 406	2.68	159.72	H-Bond (Protein Donor)	false
C4	CG2	VAL- 434	4.13	0	Hydrophobic	false
C2	CB	ALA- 439	3.97	0	Hydrophobic	false
C7	CB	ALA- 439	4.02	0	Hydrophobic	false
C4	CG2	VAL- 440	4.36	0	Hydrophobic	false
C3	CG2	VAL- 440	4.1	0	Hydrophobic	false