Receptor
PDB id Resolution Class Description Source Keywords
1JW6 1.93 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE COMPLEX OF CONCANAVALIN A AND HEXAP CANAVALIA ENSIFORMIS COMPLEX WITH HEXAPEPTIDE SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE COMPLEX OF CONCANAVALIN A HEXAPEPTIDE. J.PROTEIN CHEM. V. 20 423 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:241;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
IPA A:3001;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
MET TYR TRP TYR PRO TYR B:4000;
Valid;
none;
submit data
922.073 n/a S(CCC...
MN A:240;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
PTD A:2001;
Invalid;
none;
submit data
100.116 C5 H8 O2 C(CC=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JN2 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MESO-TETRASULPHONATOPHENYL PORPHYRIN CO WITH CONCANAVALIN A CANAVALIA ENSIFORMIS LECTIN SUGAR BINDING PROTEIN
Ref.: FUNCTIONAL EQUALITY IN THE ABSENCE OF STRUCTURAL SI AN ADDED DIMENSION TO MOLECULAR MIMICRY J.BIOL.CHEM. V. 276 39277 2000
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - GLC GLC n/a n/a
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MMA MAN n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MMA MAN n/a n/a
10 2P37 - ZEL MAN n/a n/a
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MMA MAN MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MMA MAN n/a n/a
18 2CY6 - GLC GLC n/a n/a
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MMA MAN n/a n/a
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - H1M MAN MAN n/a n/a
27 1QDC - MMA MAN n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MMA MAN MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET TYR TRP TYR PRO TYR; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 MET TYR TRP TYR PRO TYR 1 1
2 ASN ASP TRP LEU LEU PRO SER TYR 0.62 0.810811
3 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.61875 0.914286
4 MET TRP ARG PRO TRP 0.583333 0.816901
5 SER TRP PHE PRO 0.578125 0.797101
6 ARG TYR PRO LEU THR PHE GLY TRP 0.573171 0.779221
7 TRP PRO TRP 0.566667 0.828125
8 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.560694 0.782051
9 TRP GLU TYR ILE PRO ASN VAL 0.558442 0.84507
10 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.546584 0.819444
11 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.54491 0.828571
12 MET HIS PRO ALA GLN THR SER GLN TRP 0.533333 0.824324
13 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.532051 0.823529
14 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.531429 0.779221
15 ALA VAL PRO TRP 0.53125 0.818182
16 ARG PHE PRO LEU THR PHE GLY TRP 0.530488 0.753247
17 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.526012 0.75641
18 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.514286 0.759494
19 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.513967 0.769231
20 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.513158 0.823529
21 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.512987 0.861111
22 ASN GLN DPR TRP GLN 0.510638 0.75
23 ALA PRO ALA TRP LEU PHE GLU ALA 0.509677 0.823529
24 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.507692 0.69697
25 GLY SER ASP PRO TRP LYS 0.506944 0.760563
26 SER PRO LEU ASP SER LEU TRP TRP ILE 0.503268 0.77027
27 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.503226 0.867647
28 PHE SER ASP PRO TRP GLY GLY 0.5 0.774648
29 TYR PRO TYR 0.491525 0.84375
30 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.490909 0.78481
31 GLN ILE MET TYR ASN TYR PRO ALA MET 0.490446 0.885714
32 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.482558 0.753425
33 MDL 0.477941 0.757143
34 MET LEU ILE TYR SER MET TRP GLY LYS 0.47619 0.794521
35 LEU LEU TRP ALA GLY PRO MET ALA VAL 0.475 0.855072
36 GLY LEU MET TRP LEU SER TYR PHE VAL 0.474026 0.763889
37 GLN MET PRO THR GLU ASP GLU TYR 0.470968 0.857143
38 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.470588 0.763889
39 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.467456 0.746667
40 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.467066 0.830986
41 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.466258 0.838235
42 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.463415 0.823529
43 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.461078 0.830986
44 SER SER VAL VAL GLY VAL TRP TYR LEU 0.460526 0.671233
45 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.460227 0.736842
46 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.458065 0.805556
47 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.453947 0.657534
48 ASP SER TRP LYS ASP GLY CYS TYR 0.45283 0.732394
49 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.451807 0.782609
50 LEU PHE GLY TYR PRO VAL TYR VAL 0.45098 0.838235
51 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.450617 0.84058
52 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.447853 0.785714
53 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.446328 0.837838
54 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.446328 0.705128
55 ACE PRO ALA PRO TYR 0.445312 0.80597
56 SER SER VAL ILE GLY VAL TRP TYR LEU 0.443038 0.662162
57 TYR MET TRP ASP GLY TRP TYR MET QJE 0.442424 0.76
58 GLU GLU ASN ASP PRO ASP TYR 0.441176 0.768116
59 ALA TRP VAL ILE PRO ALA 0.439716 0.779412
60 THR PRO TYR ASP ILE ASN GLN MET LEU 0.439024 0.808219
61 GLU LEU ASP HOX TRP ALA SER 0.437909 0.621622
62 GLN ASN TYR PRO ILE VAL GLN 0.437086 0.774648
63 TYR TRP ALA ALA ALA ALA 0.437037 0.692308
64 TYR TYR SER ILE ILE PRO HIS SER ILE 0.436709 0.797297
65 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.433962 0.838235
66 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.433962 0.838235
67 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.433735 0.756757
68 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.433566 0.818182
69 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.433333 0.710526
70 TYR PRO PHE PHE NH2 0.431818 0.84375
71 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.431373 0.808824
72 LYS TRP LYS 0.429688 0.707692
73 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.429412 0.736842
74 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.429412 0.746479
75 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.428571 0.705128
76 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.428571 0.7125
77 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.427673 0.814286
78 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.42515 0.773333
79 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.423529 0.802817
80 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.421687 0.706667
81 SER PRO ILE VAL PRO SER PHE ASP MET 0.419753 0.77027
82 ARG LEU TYR HIS SEP LEU PRO ALA 0.418605 0.678571
83 VAL PRO LEU ARG PRO MET THR TYR 0.418182 0.779221
84 MET ASP TRP ASN MET HIS ALA ALA 0.417722 0.704225
85 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.417647 0.828571
86 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.417647 0.65
87 TYR TYR SER ILE ALA PRO HIS SER ILE 0.417178 0.773333
88 ARG LEU TRP SER 0.415493 0.626667
89 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.414634 0.794521
90 DHI PRO PHE HIS LEU LEU VAL TYR 0.414201 0.867647
91 ACE TRP ARG VAL PRO 0.413333 0.72973
92 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.413333 0.826087
93 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.413174 0.763889
94 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.412698 0.736842
95 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.4125 0.797101
96 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.411765 0.84058
97 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.411043 0.838235
98 TYR GLU TRP 0.410448 0.707692
99 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.409836 0.703704
100 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.409639 0.743243
101 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.409396 0.685714
102 ACE TYR PRO ILE GLN GLU THR 0.409091 0.797101
103 THR PRO PRO SER PRO PHE 0.408759 0.768116
104 ARG THR PHE SER PRO THR TYR GLY LEU 0.408284 0.721519
105 ARG PRO MET THR TYR LYS GLY ALA LEU 0.407821 0.769231
106 SER SER PHE TYR PRO SEP ALA GLU GLY 0.40625 0.736842
107 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.406061 0.84058
108 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.405063 0.743243
109 ACE PRO TRP ALA THR CYS ASP SER NH2 0.404908 0.794521
110 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.404908 0.797297
111 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.404372 0.769231
112 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.403509 0.828571
113 ACE GLU TRP TRP TRP 0.403101 0.651515
114 HIS PRO PHE 0.402985 0.772727
115 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.402685 0.808824
116 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.402516 0.774648
117 GLU ALA ASP PRO THR GLY HIS SER TYR 0.402299 0.77027
118 ALA TRP LEU PHE GLU ALA 0.401361 0.656716
119 TYR SEP PRO THR SEP PRO SER 0.401361 0.714286
120 PRO SER TYR SEP PRO THR SEP PRO SER 0.401274 0.714286
121 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.4 0.867647
122 SER ARG TYR TRP ALA ILE ARG THR ARG 0.4 0.666667
123 ALA SER ASN GLU ASN TRP GLU THR MET 0.4 0.69863
Similar Ligands (3D)
Ligand no: 1; Ligand: MET TYR TRP TYR PRO TYR; 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 : 1JN2; Ligand: SFP; 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: 1jn2.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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