Receptor
PDB id Resolution Class Description Source Keywords
2VDR 2.4 Å NON-ENZYME: OTHER INTEGRIN ALPHAIIBBETA3 HEADPIECE BOUND TO A CHIMERIC FIBRINO CHAIN PEPTIDE, LGGAKQRGDV HOMO SAPIENS CELL ADHESION-IMMUNE SYSTEM COMPLEX FIBRINOGEN BINDING PLAINTEGRIN ALPHAIIBBETA3 GLYCOPROTEIN CELL ADHESION MEMBRAINTEGRIN RECEPTOR ANTAGONIST HOST-VIRUS INTERACTION PYRCARBOXYLIC ACID TRANSMEMBRANE PHOSPHORYLATION DISEASE MUCLEAVAGE ON PAIR OF BASIC RESIDUES
Ref.: STRUCTURAL BASIS FOR DISTINCTIVE RECOGNITION OF FIB GAMMAC PEPTIDE BY THE PLATELET INTEGRIN ALPHAIIBBET J.CELL BIOL. V. 182 791 2008
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;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1453;
B:1462;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL C:405;
Valid;
none;
submit data
773.87 n/a O=C([...
MG B:2001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NAG A:3015;
A:3249;
B:3099;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG MAN MAN MAN D:1;
Part of Protein;
none;
submit data
n/a n/a
NAG NAG MAN MAN MAN MAN MAN E:1;
Part of Protein;
none;
submit data
n/a n/a
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 1579 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 1312 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 (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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 6ID4 Kd = 0.00000145 M ALA ILE PHE GLN SER SER MET THR LYS n/a n/a
11 5X2N - ALA C3 H7 N O2 C[C@@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 1 1
2 ARG ARG ARG GLU THR GLN VAL 0.60396 0.867925
3 LYS ARG ARG LYS SEP VAL 0.588235 0.793103
4 ALA ARG LYS LEU ASP 0.56 0.959184
5 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.539823 0.851852
6 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.532787 0.87037
7 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.512397 0.746032
8 ALA ARG THR LYS GLN THR ALA ARG LYS 0.508621 0.849057
9 ALA PRO ALA LEU ARG VAL VAL LYS 0.5 0.918367
10 GLY LYS ASP SER CYS GLN GLY ASP SER 0.5 0.690909
11 GLY ARG GLY ASP SER PRO 0.490566 0.843137
12 ALA ARG LYS ILE ASP ASN LEU ASP 0.487805 0.87037
13 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.487805 0.745455
14 ALA ARG THR MLY GLN 0.486486 0.783333
15 SER SER ARG LYS GLU TYR TYR ALA 0.483051 0.775862
16 ALA ARG THR LYS GLN THR ALA ARG 0.481818 0.865385
17 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.475806 0.789474
18 VAL THR THR ASP ILE GLN VAL LYS VAL 0.474576 0.727273
19 ALA ARG THR M3L GLN THR ALA ARG 0.474576 0.746032
20 LYS ARG LYS 0.474227 0.875
21 ALA ARG THR ALY GLN THR ALA 0.473684 0.818182
22 ALA LYS PHE ARG HIS ASP 0.472 0.762712
23 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.471545 0.75
24 SAC ARG GLY THR GLN THR GLU 0.470588 0.818182
25 GLU ARG GLY MET THR 0.469027 0.785714
26 PRO PRO LYS LYS LYS ARG LYS VAL 0.466019 0.895833
27 GLY ASP GLU VAL LYS VAL PHE ARG 0.465649 0.941176
28 ALA ARG THR MLY GLN THR ALA 0.465517 0.754098
29 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.465517 0.754098
30 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.46281 0.867925
31 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.462069 0.712121
32 ALA ARG THR MLY GLN THR ALA ARG LYS 0.461538 0.766667
33 ALA ARG THR M3L GLN THR ALA 0.46087 0.730159
34 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.46087 0.730159
35 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.457143 0.888889
36 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.456897 0.730159
37 ALA ARG THR M3L GLN THR ALA ARG LYS 0.456897 0.730159
38 THR LYS ASN TYR LYS GLN PHE SER VAL 0.452381 0.634921
39 LEU GLU LYS ALA ARG GLY SER THR TYR 0.451389 0.786885
40 ALA ARG LYS SEP THR GLY GLY LYS 0.449612 0.754098
41 ALA ARG M3L SER THR GLY GLY ALY 0.449612 0.75
42 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.449153 0.789474
43 ALA ARG MLY SER THR GLY GLY ALY 0.446154 0.774194
44 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.446043 0.762712
45 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.445205 0.758065
46 GLY GLY LYS LYS ARG TYR LYS LEU 0.443548 0.824561
47 GLY GLY LYS LYS LYS TYR ARG LEU 0.443548 0.824561
48 GLY GLY ARG LYS LYS TYR LYS LEU 0.443548 0.824561
49 ALA ARG 9AT 0.442105 0.807692
50 ARG ARG GLY ILE NH2 0.441176 0.823529
51 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.439716 0.6875
52 THR ARG ARG GLU THR GLN LEU 0.439655 0.851852
53 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.439252 0.895833
54 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.438596 0.882353
55 THR LYS ASN TYR LYS GLN THR SER VAL 0.435115 0.672131
56 ALA ARG MLZ SER THR GLY GLY ALY 0.435115 0.79661
57 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.433824 0.783333
58 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.433566 0.712121
59 ILE GLN GLN SER ILE GLU ARG ILE 0.433333 0.833333
60 THR ILE MET MET GLN ARG GLY 0.433333 0.793103
61 ALA LYS GLU LYS SER ASP 0.432692 0.735849
62 ARG ARG GLY LEU NH2 0.431373 0.86
63 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.429907 0.826923
64 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.428571 0.816327
65 THR ASN GLU TYR LYS VAL 0.428571 0.689655
66 ARG GLY TYR VAL TYR GLN GLY LEU 0.428571 0.762712
67 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.427536 0.783333
68 SER ARG LYS ILE ASP ASN LEU ASP 0.427481 0.824561
69 SER ASP TYR GLN ARG LEU 0.42623 0.789474
70 ARG GLY ASP ILE ASN ASN ASN VAL 0.42623 0.851852
71 PHE GLU ALA LYS LYS LEU VAL 0.423077 0.795918
72 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.421429 0.701493
73 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.421053 0.746032
74 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.420635 0.775862
75 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.42 0.875
76 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.41958 0.723077
77 GLU GLN TYR LYS PHE TYR SER VAL 0.418605 0.672131
78 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.41844 0.705882
79 PAC DLY DLY DAR 0.418182 0.862745
80 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.415584 0.761905
81 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.415493 0.770492
82 GLU ALA GLN THR ARG LEU 0.414634 0.849057
83 ARG ASP ARG ALA ALA LYS LEU 0.414414 0.918367
84 SER GLY ARG GLY LYS NH2 0.413462 0.811321
85 GLN ARG ALA THR LYS MET NH2 0.412698 0.789474
86 LYS GLN LYS 0.412371 0.770833
87 ARG GLY TYR LEU TYR GLN GLY LEU 0.412214 0.762712
88 ARG ARG GLY CYS NH2 0.411765 0.784314
89 MET ARG THR GLY ASN ALA XSN 0.410853 0.75
90 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.409836 0.82
91 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.409449 0.810345
92 ARG VAL 0.408602 0.875
93 LYS GLN THR SER VAL 0.407767 0.685185
94 ALA ARG THR MLY GLN THR ALA ARG TYR 0.407407 0.701493
95 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.407143 0.775862
96 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.40708 0.811321
97 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.40678 0.766667
98 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.406667 0.686567
99 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.405405 0.766667
100 ARG GLU ASP GLN GLU THR ALA VAL 0.405172 0.679245
101 GLY ARG PHE GLN VAL THR 0.404762 0.814815
102 ALA ARG M3L SER 0.40367 0.709677
103 GLY GLY LYS LYS LYS TYR GLN LEU 0.403226 0.719298
104 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.402778 0.730159
105 ALA ARG 0.402174 0.833333
106 ARG ARG GLY MET NH2 0.401869 0.777778
107 LYS LEU VAL GLN LEU LEU THR THR THR 0.401709 0.740741
108 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.40146 0.872727
109 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.401408 0.762712
110 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.401235 0.716418
111 ALA GLN PHE SER ALA SER ALA SER ARG 0.4 0.785714
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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