Receptor
PDB id Resolution Class Description Source Keywords
1N3Q 2.2 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN COMPLEXED WITH TURANOSE PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION TURANOSE SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF PTEROCARPUS ANGOLENSIS LECTIN IN COMPLEX WITH GLUCOSE, SUCROSE, AND TURANOSE J.BIOL.CHEM. V. 278 16297 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:272;
B:274;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC BDF B:253;
Valid;
none;
submit data
342.297 n/a O1C(O...
GLC FRU A:253;
Valid;
none;
submit data
342.297 n/a O(C1(...
MN A:271;
B:273;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AR6 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE PENTASACCHARIDE M592 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1S1A - MAN MMA n/a n/a
2 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
3 1N3Q - GLC BDF n/a n/a
4 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
5 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
6 1N3P - GLC FRU n/a n/a
7 2ARX - MAN MAN n/a n/a
8 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1S1A - MAN MMA n/a n/a
2 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
3 1N3Q - GLC BDF n/a n/a
4 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
5 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
6 1N3P - GLC FRU n/a n/a
7 2ARX - MAN MAN n/a n/a
8 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
9 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
10 3ZVX - MAN MAN MAN n/a n/a
11 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
12 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
2 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
3 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
4 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
5 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
6 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
7 1S1A - MAN MMA n/a n/a
8 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
9 1N3Q - GLC BDF n/a n/a
10 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
11 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
12 1N3P - GLC FRU n/a n/a
13 2ARX - MAN MAN n/a n/a
14 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
15 1LED - FUC GAL MAG FUC n/a n/a
16 1GSL - FUC GAL MAG FUC n/a n/a
17 1V00 - LAT C12 H22 O11 C([C@@H]1[....
18 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
19 3N36 - GLA C6 H12 O6 C([C@@H]1[....
20 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
21 1UZY - GAL BGC n/a n/a
22 1LTE - BGC GAL n/a n/a
23 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
24 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
25 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
26 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
27 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
28 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
29 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
30 3ZVX - MAN MAN MAN n/a n/a
31 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
32 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
33 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
35 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
36 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
37 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
38 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
39 3WCS - MAN NAG GAL n/a n/a
40 3WOG - MAN NAG n/a n/a
41 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
42 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
43 2BQP - GLC C6 H12 O6 C([C@@H]1[....
44 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
45 2DVA - GAL MGC n/a n/a
46 2DV9 - GAL GAL n/a n/a
47 1V6K - GAL GLC n/a n/a
48 1V6L - GAL BGC n/a n/a
49 2DVD - GAL GAL n/a n/a
50 2TEP - GAL NGA n/a n/a
51 2DVB - GAL C6 H12 O6 C([C@@H]1[....
52 1V6I - GAL GLC n/a n/a
53 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
54 1G9F - GAL NAG GAL NAG GAL n/a n/a
55 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
56 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
57 2ZMK - GLA EGA n/a n/a
58 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
59 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC BDF; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BDF 1 1
2 BTU 0.583333 0.871795
3 TUR 0.583333 0.871795
4 TRE 0.471698 0.916667
5 BMA FRU 0.461538 0.871795
6 FRU GAL 0.461538 0.871795
7 BMA MAN 0.453125 0.944444
8 GLC DMJ 0.426471 0.755556
9 5QP 0.41791 0.916667
10 BGC OXZ 0.411765 0.66
11 DOM 0.409091 0.918919
12 MAN GLC 0.40625 0.916667
13 LB2 0.40625 0.916667
14 M3M 0.40625 0.916667
15 NOJ GLC 0.405797 0.755556
Ligand no: 2; Ligand: GLC FRU; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 SWE 1 1
3 SUC 1 1
4 FRU GLC GLA 0.736842 0.972973
5 RAF 0.736842 0.972973
6 SUP 0.701754 0.8
7 GLC FRU FRU 0.684211 0.972973
8 DQR 0.666667 0.972973
9 FNY 0.612903 0.972973
10 NYT 0.612903 0.972973
11 20S 0.534247 0.8
12 SUC GLA 0.5 0.921053
13 AGR 0.467532 0.782609
14 TRE 0.42 0.864865
15 MMA 0.411765 0.789474
16 MBG 0.411765 0.789474
17 AMG 0.411765 0.789474
18 GYP 0.411765 0.789474
19 GLC GLC FRU 0.4 0.947368
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AR6; Ligand: NAG MAN; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 2ar6.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TDF FAD 0.03355 0.40865 1.19048
2 5OFW 9TW 0.01038 0.41528 1.34529
3 1WHT BZS 0.02066 0.40004 1.96078
4 1V59 FAD 0.005185 0.44907 2.77778
5 1U1J MET 0.007634 0.4102 2.77778
6 1DQS NAD 0.02868 0.40716 2.77778
7 1FL2 FAD 0.008756 0.43204 3.1746
8 1I9G SAM 0.006903 0.41497 3.1746
9 5TQZ GLC 0.000002359 0.60631 3.33333
10 1MO9 FAD 0.00418 0.47403 3.96825
11 1MO9 KPC 0.004784 0.47145 3.96825
12 2B9W FAD 0.02106 0.42488 3.96825
13 3LLZ GAL NGA 0.004616 0.42195 4.51128
14 1GET FAD 0.004225 0.46723 4.7619
15 1GET NAP 0.004467 0.46723 4.7619
16 1PS9 FAD 0.02132 0.41455 4.7619
17 4H4D 10E 0.006253 0.41117 4.7619
18 3BY8 MLT 0.0161 0.40493 4.92958
19 5TE1 7A2 0.00295 0.436 5.15873
20 1TUU ADP 0.003963 0.43497 5.55556
21 1TUU AMP 0.003627 0.43164 5.55556
22 3RIY NAD 0.01789 0.40693 6.34921
23 4UP3 FAD 0.0349 0.40286 6.34921
24 2XVF FAD 0.03152 0.40233 6.34921
25 2GUC MAN 0.0000002342 0.63808 6.55738
26 2NU5 NAG 0.0000003087 0.63069 6.55738
27 2GUD MAN 0.0000003112 0.62669 6.55738
28 2HYR BGC GLC 0.0000004692 0.61368 6.55738
29 2NUO BGC 0.000002712 0.56459 6.55738
30 2GUD BMA 0.000003461 0.55706 6.55738
31 2GUE NAG 0.00001053 0.47898 6.55738
32 2HYQ MAN MAN 0.000008691 0.4235 6.55738
33 4QB6 GCU XYP 0.01882 0.40849 6.70732
34 2XVE FAD 0.04654 0.40935 6.74603
35 3VY6 BGC BGC 0.000002152 0.5665 7.0922
36 3LAD FAD 0.005301 0.44584 7.53968
37 3F8D FAD 0.01685 0.43795 7.93651
38 3AD8 NAD 0.02966 0.40066 7.93651
39 2GVC FAD 0.0249 0.40335 9.52381
40 4LNU GTP 0.007391 0.42145 11.1111
41 5EYP GTP 0.008537 0.41846 11.1111
42 2VVM FAD 0.01638 0.4194 11.5079
43 1N4W FAD 0.03817 0.40341 11.9048
44 4AKB GAL 0.009056 0.42531 12.782
45 5FS0 5JC 0.0144 0.40246 12.7962
46 4GYW UDP 0.02351 0.40348 13.8889
47 4FWE FAD 0.03782 0.40361 14.6825
48 2DUR MAN MAN 0.0000008081 0.65144 19.8413
49 4ZNO SUC 0.00002726 0.53916 21.0317
50 2F5Z FAD 0.01828 0.41967 25
Pocket No.: 2; Query (leader) PDB : 2AR6; Ligand: NAG MAN MAN MAN NAG; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 2ar6.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N53 8NB 0.01992 0.40721 None
2 5FQ0 FLC 0.02475 0.40219 None
3 1TDF NAP 0.04972 0.40449 1.19048
4 1TDF FAD 0.02684 0.40449 1.19048
5 1YKJ FAD 0.04987 0.40061 1.98413
6 1U1J MET 0.01174 0.40371 2.77778
7 1FL2 FAD 0.00797 0.42335 3.1746
8 5TQZ GLC 0.000002622 0.61433 3.33333
9 1MO9 FAD 0.005769 0.45543 3.96825
10 1MO9 KPC 0.006504 0.45334 3.96825
11 2B9W FAD 0.02497 0.4118 3.96825
12 3LLZ GAL NGA 0.005737 0.42892 4.51128
13 1GET NAP 0.007467 0.44467 4.7619
14 1GET FAD 0.007052 0.44467 4.7619
15 4H4D 10E 0.009653 0.40461 4.7619
16 1PS9 FAD 0.02262 0.40389 4.7619
17 3QVP FAD 0.02944 0.40015 4.7619
18 5TE1 7A2 0.006215 0.42649 5.15873
19 1TUU ADP 0.009252 0.42263 5.55556
20 1TUU AMP 0.008247 0.42039 5.55556
21 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0004834 0.42901 6.50407
22 2GUC MAN 0.00000025 0.64881 6.55738
23 2NU5 NAG 0.0000003455 0.63948 6.55738
24 2GUD MAN 0.0000003369 0.63645 6.55738
25 2HYR BGC GLC 0.000000494 0.62428 6.55738
26 2NUO BGC 0.000002457 0.56948 6.55738
27 2GUD BMA 0.000004076 0.56234 6.55738
28 2GUE NAG 0.00001006 0.48406 6.55738
29 2HYQ MAN MAN 0.0000006041 0.40776 6.55738
30 4QB6 GCU XYP 0.02469 0.40281 6.70732
31 3VY6 BGC BGC 0.000002385 0.57072 7.0922
32 3F8D FAD 0.02093 0.42348 7.93651
33 5EYP GTP 0.009884 0.40498 11.1111
34 2VVM FAD 0.02047 0.40505 11.5079
35 4AKB GAL 0.009499 0.43022 12.782
36 2DUR MAN MAN 0.000001248 0.6498 19.8413
37 4ZNO SUC 0.00002744 0.54533 21.0317
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