Receptor
PDB id Resolution Class Description Source Keywords
2VDR 2.4 Å NON-ENZYME: OTHER INTEGRIN ALPHAIIBBETA3 HEADPIECE BOUND TO A CHIMERIC FIBRINOGEN GAMMA 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 CELL ADHESION/IMMUNE SYCOMPLEX
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 B:3320;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NAG NAG MAN MAN MAN MAN MAN B:3371;
Part of Protein;
none;
submit data n/a n/a 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 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: LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 1 1
2 LYS ARG ARG LYS SEP VAL 0.561224 0.793103
3 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.504505 0.849057
4 ALA ARG THR LYS GLN THR ALA ARG 0.5 0.849057
5 ALA ARG THR LYS GLN THR ALA ARG LYS 0.5 0.849057
6 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.495726 0.793103
7 GLY LYS ASP SER CYS GLN GLY ASP SER 0.495575 0.690909
8 ALA PRO ALA LEU ARG VAL VAL LYS 0.495146 0.918367
9 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.487395 0.746032
10 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.486726 0.851852
11 ALA ARG THR MLY GLN 0.485981 0.783333
12 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.483333 0.745455
13 GLY ARG GLY ASP SER PRO 0.475728 0.843137
14 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.473214 0.754098
15 ALA ARG THR MLY GLN THR ALA 0.473214 0.754098
16 ALA ARG LYS ILE ASP ASN LEU ASP 0.470588 0.87037
17 SER SER ARG LYS GLU TYR TYR ALA 0.469027 0.775862
18 ALA ARG THR M3L GLN THR ALA ARG 0.465517 0.746032
19 ALA ARG THR ALY GLN THR ALA 0.464286 0.818182
20 GLY ASP GLU VAL LYS VAL PHE ARG 0.464 0.941176
21 ALA ARG TPO LYS 0.461538 0.775862
22 VAL THR THR ASP ILE GLN VAL LYS VAL 0.46087 0.709091
23 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.460177 0.730159
24 ALA ARG THR M3L GLN THR ALA 0.460177 0.730159
25 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.460177 0.730159
26 GLU ARG GLY MET THR 0.459459 0.785714
27 ALA LYS PHE ARG HIS ASP 0.458333 0.762712
28 ALA ARG THR M3L GLN THR ALA ARG LYS 0.45614 0.730159
29 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.45614 0.789474
30 THR LYS ASN TYR LYS GLN PHE SER VAL 0.454545 0.634921
31 ARG ARG ARG GLU THR GLN VAL 0.45283 0.865385
32 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.451128 0.762712
33 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.448529 0.888889
34 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.443662 0.712121
35 ALA ARG LYS SEP THR GLY GLY LYS 0.443548 0.754098
36 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.442105 0.857143
37 ALA ARG THR MLY GLN THR ALA ARG LYS 0.441667 0.754098
38 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.440678 0.867925
39 SER ASP TYR GLN ARG LEU 0.439655 0.789474
40 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.4375 0.79661
41 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.436364 0.882353
42 THR ILE MET MET GLN ARG GLY 0.435897 0.793103
43 ALA ARG MLY SER THR GLY GLY ALY 0.433071 0.774194
44 ALA ARG M3L SER THR GLY GLY ALY 0.433071 0.75
45 LEU GLU LYS ALA ARG GLY SER THR TYR 0.432624 0.786885
46 ARG GLY TYR VAL TYR GLN GLY LEU 0.429688 0.762712
47 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.426471 0.707692
48 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.425532 0.712121
49 ALA ARG MLZ SER THR GLY GLY ALY 0.425197 0.79661
50 GLY GLY ARG LYS LYS TYR LYS LEU 0.425 0.824561
51 GLY GLY LYS LYS ARG TYR LYS LEU 0.425 0.824561
52 GLY GLY LYS LYS LYS TYR ARG LEU 0.425 0.824561
53 ILE GLN GLN SER ILE GLU ARG ILE 0.423729 0.833333
54 ALA ARG LYS LEU ASP 0.423077 0.959184
55 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.423077 0.712121
56 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.422222 0.701493
57 ARG ARG GLY LEU NH2 0.421569 0.86
58 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.421569 0.826923
59 THR ARG ARG GLU THR GLN LEU 0.421053 0.851852
60 LYS ARG LYS 0.421053 0.875
61 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.420635 0.766667
62 PHE GLU ALA LYS LYS LEU VAL 0.42 0.755102
63 ASP ALA GLU PHE ARG HIS ASP 0.419355 0.745763
64 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.416667 0.875
65 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.416667 0.775862
66 SER GLY ARG GLY LYS NH2 0.415842 0.811321
67 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.414815 0.783333
68 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.414286 0.723077
69 THR ASN GLU TYR LYS VAL 0.413793 0.684211
70 ARG ARG GLY MET NH2 0.413462 0.777778
71 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.412844 0.811321
72 ARG GLY TYR LEU TYR GLN GLY LEU 0.412698 0.762712
73 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.412281 0.766667
74 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.411765 0.762712
75 ARG GLY ASP ILE ASN ASN ASN VAL 0.411765 0.851852
76 GLU GLN TYR LYS PHE TYR SER VAL 0.41129 0.672131
77 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.410853 0.762712
78 LYS GLN THR SER VAL 0.41 0.685185
79 SAC ARG GLY THR GLN THR GLU 0.409836 0.818182
80 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.408451 0.783333
81 ARG ARG GLY ILE NH2 0.407767 0.823529
82 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.406897 0.758065
83 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.40678 0.78
84 THR LYS ASN TYR LYS GLN THR SER VAL 0.40625 0.672131
85 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.406015 0.783333
86 ARG ARG GLY CYS NH2 0.405941 0.8
87 ALA ARG M3L SER 0.40566 0.709677
88 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.405594 0.737705
89 GLU ARG GLY SER GLY ARG 0.405405 0.830189
90 GLY ARG PHE GLN VAL THR 0.405172 0.843137
91 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.40458 0.872727
92 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.401639 0.810345
93 ALA ARG THR MLY GLN THR ALA ARG TYR 0.401515 0.701493
94 GLY GLY LYS LYS LYS TYR GLN LEU 0.4 0.719298
95 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.4 0.75
96 ALA GLU ASP ASP VAL GLU 0.4 0.7
97 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: 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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