Receptor
PDB id Resolution Class Description Source Keywords
3NIF 2.4 Å NON-ENZYME: OTHER THE CLOSED HEADPIECE OF INTEGRIN IIB 3 AND ITS COMPLEX WITH SPECIFIC ANTAGONIST THAT DOES NOT INDUCE OPENING HOMO SAPIENS INTEGRIN HEADPIECE ALPHAIIB BETA3 CELL ADHESION-BLOOD CLCOMPLEX
Ref.: CLOSED HEADPIECE OF INTEGRIN {ALPHA}IIB{BETA}3 AND COMPLEX WITH AN {ALPHA}IIB{BETA}3-SPECIFIC ANTAGONI DOES NOT INDUCE OPENING. BLOOD V. 116 5050 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:2004;
A:2005;
A:2006;
A:2007;
B:2002;
B:2003;
C:2004;
C:2005;
C:2006;
C:2007;
D:2002;
D: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...
GOL A:456;
A:457;
A:458;
A:459;
A:460;
A:461;
B:472;
D:472;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG B:2001;
D:2001;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NAG B:3099;
D:3099;
Part of Protein;
Part of Protein;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:3371;
D:3371;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG MAN D:3320;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NAG NAG MAN MAN B:3320;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NIF A:455;
C:455;
Valid;
Valid;
none;
none;
submit data
265.335 C11 H15 N5 O S CCC1=...
SO4 A:462;
A:463;
A:464;
A:465;
A:466;
B:473;
C:456;
C:457;
C:458;
C:459;
C:460;
C:461;
D:473;
D:474;
D:475;
H:222;
L:215;
L:216;
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;
submit data
96.063 O4 S [O-]S...
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 1256 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 1068 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 (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZPK - PRO ARG GLY TYR PRO GLY GLN VAL n/a n/a
2 3NIF - NIF C11 H15 N5 O S CCC1=NN2C(....
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
5 3WFD - AXO C2 H5 N O C/C=N/O
6 4XVU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 4XTR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NIF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NIF 1 1
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: 1
This union binding pocket(no: 1) in the query (biounit: 3ze2.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3JU6 ARG 0.005243 0.43814 6.78733
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