Receptor
PDB id Resolution Class Description Source Keywords
3KIF 2.5 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURES OF TWO FRAGMENTS TRUNCATED FROM 5-BLA PROPELLER LECTIN, TACHYLECTIN-2 (LIB1-B7-18 AND LIB2-D2-15) SYNTHETIC CONSTRUCT 5-BLADED -PROPELLER STRUCTURAL GENOMICS ISRAEL STRUCTURAL PROTEOMICS CENTER ISPC SUGAR BINDING PROTEIN
Ref.: METAMORPHIC PROTEINS MEDIATE EVOLUTIONARY TRANSITIO STRUCTURE PROC.NATL.ACAD.SCI.USA V. 107 7287 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDL A:110;
B:110;
D:238;
D:241;
E:110;
F:110;
G:110;
I:110;
J:110;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
219.192 C8 H13 N O6 CC(=O...
SO4 E:107;
J:107;
Invalid;
Invalid;
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
3KIF 2.5 Å NON-ENZYME: BINDING THE CRYSTAL STRUCTURES OF TWO FRAGMENTS TRUNCATED FROM 5-BLA PROPELLER LECTIN, TACHYLECTIN-2 (LIB1-B7-18 AND LIB2-D2-15) SYNTHETIC CONSTRUCT 5-BLADED -PROPELLER STRUCTURAL GENOMICS ISRAEL STRUCTURAL PROTEOMICS CENTER ISPC SUGAR BINDING PROTEIN
Ref.: METAMORPHIC PROTEINS MEDIATE EVOLUTIONARY TRANSITIO STRUCTURE PROC.NATL.ACAD.SCI.USA V. 107 7287 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3KIF - GDL C8 H13 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3KIF - GDL C8 H13 N O6 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3KIH - GDL C8 H13 N O6 CC(=O)N[C@....
2 3KIF - GDL C8 H13 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDL; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GDL 1 1
2 LOG 0.529412 0.754717
3 NBG 0.411765 0.906977
4 149 0.404255 0.714286
5 LGC 0.404255 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3kif.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3kif.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3kif.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: 60
This union binding pocket(no: 4) in the query (biounit: 3kif.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2J9C ATP 0.004755 0.44767 None
2 4USI ATP 0.005573 0.43754 None
3 2J9D ADP 0.009067 0.42666 None
4 3FRH SAH 0.01827 0.4141 None
5 3U7S 017 0.02007 0.41344 None
6 5ITV NAI 0.042 0.40389 None
7 1EZ4 NAD 0.0373 0.4019 None
8 3GGU 017 0.03997 0.40155 None
9 3WV1 WHH 0.04746 0.41223 1.88679
10 2O4C NAD 0.03393 0.40891 1.88679
11 4UWJ MYA 0.04538 0.42488 2.83019
12 4UWJ 7L5 0.04538 0.42488 2.83019
13 2BVL UDP 0.01187 0.42386 2.83019
14 2BVL GLC 0.01187 0.42386 2.83019
15 2ZL4 ALA ALA ALA ALA 0.004951 0.42043 2.83019
16 1U3G THF 0.01542 0.41638 2.83019
17 1NFQ NAI 0.02941 0.4134 2.83019
18 2O66 FLC 0.00832 0.41135 2.83019
19 5TO8 7FM 0.04535 0.40816 2.83019
20 3QXY SAM 0.002056 0.44921 3.77358
21 5KOK R9T 0.03455 0.41068 3.77358
22 3NUG NAD 0.04114 0.40438 3.77358
23 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.04212 0.40382 3.77358
24 3MJY IJZ 0.04683 0.4024 3.77358
25 4C2X NHW 0.02644 0.42296 4.71698
26 3LCV SAM 0.01676 0.41605 4.71698
27 2YY7 NAD 0.03134 0.41078 4.71698
28 2AMT 1AA 0.03103 0.43386 5.66038
29 2F69 SAH 0.006217 0.42289 5.66038
30 4WGF HX2 0.00609 0.41932 5.66038
31 1VG8 GNP 0.02932 0.40614 5.66038
32 4MO4 ACP 0.04473 0.40128 5.66038
33 3IWD M2T 0.006926 0.41627 5.88235
34 1YXM ADE 0.001283 0.44832 6.60377
35 3JVH HHV 0.03176 0.41158 6.60377
36 1MI3 NAD 0.04361 0.40301 6.60377
37 1ZX5 LFR 0.00186 0.446 7.54717
38 3CTY FAD 0.02439 0.42925 7.54717
39 5THQ NDP 0.04426 0.40153 8.49057
40 3ZEU AGS 0.0291 0.40046 8.49057
41 5HQ8 SAH 0.01956 0.40023 8.49057
42 5THZ SAH 0.004363 0.44645 9.43396
43 3F8D FAD 0.02795 0.44106 9.43396
44 5HES 032 0.02626 0.40435 9.43396
45 1VL0 NAI 0.02053 0.41433 10.3774
46 3RAB GNP 0.02803 0.4058 10.3774
47 3HSS MLA 0.03088 0.40336 10.3774
48 1AE1 NAP 0.0242 0.41908 11.3208
49 1EXF GLY 0.0006766 0.44977 12.2642
50 5XVK SAH 0.01737 0.41524 12.2642
51 3VC3 C6P 0.0106 0.42794 13.2075
52 1NHX PEP 0.03173 0.42036 13.2075
53 1NHX FTB 0.03286 0.42036 13.2075
54 1JBW ACQ 0.03646 0.40722 14.1509
55 3GWZ SAH 0.01372 0.40797 15.0943
56 3UCL NAP 0.04987 0.42526 16.0377
57 3UCL CYH 0.04676 0.42526 16.0377
58 3UCL FAD 0.04676 0.42526 16.0377
59 3WYF GTP 0.03929 0.40069 16.9811
60 5EYK 5U5 0.03055 0.4052 29.2453
Pocket No.: 5; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3kif.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3kif.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3kif.bio3) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3kif.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: 23
This union binding pocket(no: 9) in the query (biounit: 3kif.bio3) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BNF UTP 0.01773 0.41192 None
2 1U72 NDP 0.03161 0.4235 1.88679
3 3BIB PSF 0.008197 0.41392 1.88679
4 1A5Z FBP 0.007761 0.41398 2.83019
5 3KL3 DHI 0.0009862 0.43373 4.71698
6 5X20 NAD 0.01679 0.41457 4.71698
7 5UR1 YY9 0.02694 0.40907 4.71698
8 5FJN FAD 0.04538 0.40874 5.66038
9 3Q9T FAY 0.02245 0.42078 7.54717
10 1T9D P22 0.01229 0.40331 7.54717
11 3SJH ATP 0.01766 0.40738 9.43396
12 4J4H NAI 0.03046 0.42219 10.3774
13 4J4H 1J1 0.03046 0.42219 10.3774
14 9LDT NAD 0.03839 0.40213 10.3774
15 3O9L LPN 0.03715 0.41178 11.3208
16 1PS9 FAD 0.04504 0.40808 13.2075
17 5JAQ NAI 0.04968 0.40404 13.2075
18 2R4J 13P 0.03645 0.42077 15.0943
19 3IP5 ALA 0.01554 0.40016 16.9811
20 4USQ FAD 0.04807 0.40011 17.9245
21 2OUA AES 0.007184 0.41314 18.8679
22 4USR FAD 0.03653 0.40545 29.2453
23 1FQK ALF 0.01169 0.40892 38.6792
Pocket No.: 10; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3kif.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3kif.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3kif.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3kif.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3kif.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3kif.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3kif.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3kif.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3KIF; Ligand: GDL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3kif.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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