Receptor
PDB id Resolution Class Description Source Keywords
3ZDY 2.45 Å NON-ENZYME: OTHER INTEGRIN ALPHAIIB BETA3 HEADPIECE AND RGD PEPTIDE COMPLEX HOMO SAPIENS CELL ADHESION-IMMUNE SYSTEM-PEPTIDE COMPLEX CELL ADHESION
Ref.: COMPLETE INTEGRIN HEADPIECE OPENING IN EIGHT STEPS. J.CELL BIOL. V. 201 1053 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:1456;
C:1455;
B:1468;
B:1469;
L:1216;
A:1459;
A:1455;
A:1456;
L:1215;
A:1458;
D:1472;
C:1457;
A:1457;
A:1463;
C:1454;
B:1467;
A:1461;
C:1458;
A:1462;
A:1460;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CA C:2007;
C:2006;
D:2002;
A:2006;
D:2003;
B:2002;
A:2007;
C:2005;
C:2004;
A:2004;
A:2005;
B:2003;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAG D:3319;
B:3319;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
MG B:2001;
D:2001;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GLY ARG GLY ASP SER PRO I:492;
J:492;
Valid;
Valid;
none;
none;
submit data
475.483 n/a O=C(N...
NAG NAG N:1;
K:1;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA MAN M:1;
G:1;
Invalid;
Invalid;
none;
none;
submit data
732.686 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZE2 2.35 Å NON-ENZYME: OTHER INTEGRIN ALPHAIIB BETA3 HEADPIECE AND RGD PEPTIDE COMPLEX HOMO SAPIENS CELL ADHESION-IMMUNE SYSTEM-PEPTIDE COMPLEX CELL ADHESIN-IMSYSTEM-PEPTIDE COMPLEX CELL ADHESION
Ref.: COMPLETE INTEGRIN HEADPIECE OPENING IN EIGHT STEPS. J.CELL BIOL. V. 201 1053 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
2 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
3 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
4 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
2 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
3 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
4 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3GJF Kd = 46 nM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
2 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
3 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
4 3ZDY - GLY ARG GLY ASP SER PRO n/a n/a
5 3ZE2 - GLY ARG GLY ASP SER PRO n/a n/a
6 2VDR - LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL n/a n/a
7 3WFD - AXO C2 H5 N O C/C=N/O
8 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1W72 Kd = 14 nM GLU ALA ASP PRO THR GLY HIS SER TYR n/a n/a
10 6O24 - CIT C6 H8 O7 C(C(=O)O)C....
11 6ID4 Kd = 0.000000064 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
12 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY ARG GLY ASP SER PRO; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ARG GLY ASP SER PRO 1 1
2 GLU ARG GLY SER GLY ARG 0.520833 0.938776
3 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.490566 0.843137
4 ARG GLY ASP 0.465116 0.934783
5 ALA ILE ARG SER 0.446809 0.84
6 ALA ARG M3L SER 0.442105 0.677419
7 ARG ARG GLY CYS NH2 0.438202 0.816327
8 ARG ARG GLY LEU NH2 0.428571 0.784314
9 ARG ASP ALA ALA 0.426966 0.893617
10 ARG ARG GLY ILE NH2 0.423913 0.784314
11 ARG GLY ASP ILE ASN ASN ASN VAL 0.423423 0.781818
12 GLU ARG GLY MET THR 0.415094 0.814815
13 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.412371 0.86
14 ARG ARG GLY MET NH2 0.410526 0.740741
15 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.410256 0.716667
16 GLY ASP GLU VAL LYS VAL PHE ARG 0.408 0.796296
17 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.408 0.741935
18 VAL ALA PHE ARG SER 0.407407 0.807692
19 THR ALA ARG M3L SER THR 0.40625 0.677419
20 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.40458 0.779661
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY ARG GLY ASP SER PRO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZE2; Ligand: GLY ARG GLY ASP SER PRO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ze2.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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