Receptor
PDB id Resolution Class Description Source Keywords
1N3O 2 Å NON-ENZYME: BINDING PTEROCARCPUS ANGOLENSIS LECTIN IN COMPLEX WITH ALPHA-METHYL GLUCOSE PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION GLUCOSE 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...
GYP A:1001;
B:1101;
Valid;
Valid;
none;
none;
submit data
194.182 C7 H14 O6 CO[C@...
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: GYP; Similar ligands found: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 MBG 1 1
2 AMG 1 1
3 MMA 1 1
4 GYP 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 DR5 0.613636 0.914286
8 M13 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 XGP 0.512195 0.674419
15 M1P 0.512195 0.674419
16 G1P 0.512195 0.674419
17 GL1 0.512195 0.674419
18 DEG 0.488889 0.837838
19 BGC BGC 0.478261 0.857143
20 MAN MAN 0.478261 0.857143
21 2M4 0.478261 0.857143
22 WZ1 0.470588 0.842105
23 MAG 0.468085 0.727273
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 GLC SSG SGC SGC MA3 0.462963 0.842105
28 BGC SGC SGC GTM 0.462963 0.842105
29 BGC SSG SSG SGC MA3 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 JZR 0.458333 0.775
33 BHG 0.458333 0.775
34 HEX GLC 0.458333 0.775
35 GLC HEX 0.458333 0.775
36 SMD 0.45098 0.842105
37 2GS 0.45 1
38 KGM 0.44898 0.756098
39 B7G 0.44898 0.756098
40 LAT GLA 0.446809 0.857143
41 2M8 0.446809 0.882353
42 GTM BGC BGC 0.442623 0.842105
43 BOG 0.44 0.756098
44 GLC GLO 0.44 0.909091
45 HSJ 0.44 0.756098
46 BNG 0.44 0.756098
47 R1P 0.439024 0.6
48 GLA GAL 0.4375 0.857143
49 BGC GAL 0.4375 0.857143
50 GLC BGC 0.4375 0.857143
51 GLC GAL 0.4375 0.857143
52 BGC BMA 0.4375 0.857143
53 BMA BMA 0.4375 0.857143
54 EBQ 0.4375 0.810811
55 M3M 0.4375 0.857143
56 LB2 0.4375 0.857143
57 MAB 0.4375 0.857143
58 56N 0.4375 0.805556
59 EBG 0.4375 0.810811
60 CBK 0.4375 0.857143
61 LAT 0.4375 0.857143
62 GAL BGC 0.4375 0.857143
63 BMA GAL 0.4375 0.857143
64 MAL MAL 0.4375 0.833333
65 B2G 0.4375 0.857143
66 MAN GLC 0.4375 0.857143
67 N9S 0.4375 0.857143
68 GAL GLC 0.4375 0.857143
69 GLA GLA 0.4375 0.857143
70 LBT 0.4375 0.857143
71 CBI 0.4375 0.857143
72 BGC GLC 0.4375 0.857143
73 MAL 0.4375 0.857143
74 GAL FUC 0.431373 0.857143
75 BMA BMA MAN 0.431373 0.833333
76 A2G MBG 0.431034 0.680851
77 MBG A2G 0.431034 0.680851
78 GLA GLC 0.428571 0.857143
79 GLA BMA 0.428571 0.857143
80 MLB 0.428571 0.857143
81 MAN BMA 0.428571 0.857143
82 BMA GLA 0.428571 0.857143
83 GAL GAL 0.428571 0.857143
84 LAK 0.428571 0.857143
85 BGC GLA 0.428571 0.857143
86 GLA BGC 0.428571 0.857143
87 WZ2 0.42623 0.842105
88 GLA EGA 0.423077 0.861111
89 GAL PHB 0.423077 0.783784
90 RZM 0.42 0.666667
91 T6P 0.42 0.666667
92 MGL SGC GLC GLC 0.415385 0.842105
93 BGC BGC SGC MGL 0.415385 0.842105
94 VAM 0.415094 0.842105
95 MAN MAN BMA 0.415094 0.857143
96 NAG MBG 0.413793 0.680851
97 HNV 0.413793 0.842105
98 WZ3 0.412698 0.888889
99 MAN MAN MAN 0.411765 0.857143
100 SUC 0.411765 0.789474
101 SER MAN 0.411765 0.75
102 SWE 0.411765 0.789474
103 BMA MAN 0.411765 0.833333
104 DOM 0.411765 0.810811
105 GLC GLC GLC 0.411765 0.857143
106 MAN 7D1 0.411765 0.810811
107 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
108 GLC GLC GLC GLC BGC 0.411765 0.857143
109 GLC FRU 0.411765 0.789474
110 MFU 0.410256 0.727273
111 MFB 0.410256 0.727273
112 XLM 0.407407 0.888889
113 3X8 0.407407 0.763158
114 FK9 0.407407 0.756098
115 GLC GAL GAL 0.403846 0.857143
116 BMA BMA BMA 0.403846 0.857143
117 BGC GLC GLC 0.403846 0.857143
118 MAN BMA BMA BMA BMA 0.403846 0.857143
119 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
120 DXI 0.403846 0.857143
121 CTT 0.403846 0.857143
122 CTR 0.403846 0.857143
123 BGC GLC GLC GLC GLC 0.403846 0.857143
124 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
125 GLC GLC GLC GLC GLC 0.403846 0.857143
126 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
127 CE6 0.403846 0.857143
128 GLA GAL GLC 0.403846 0.857143
129 CE5 0.403846 0.857143
130 BGC BGC BGC GLC 0.403846 0.857143
131 BGC GLC GLC GLC 0.403846 0.857143
132 CE8 0.403846 0.857143
133 MAN BMA BMA 0.403846 0.857143
134 GLC BGC GLC 0.403846 0.857143
135 CT3 0.403846 0.857143
136 GLC GLC BGC GLC GLC GLC GLC 0.403846 0.857143
137 BMA BMA BMA BMA BMA 0.403846 0.857143
138 CEX 0.403846 0.857143
139 B4G 0.403846 0.857143
140 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
141 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
142 U63 0.403846 0.769231
143 MLR 0.403846 0.857143
144 CEY 0.403846 0.857143
145 GLC BGC BGC 0.403846 0.857143
146 GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
147 MT7 0.403846 0.857143
148 GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
149 GLC BGC BGC BGC BGC 0.403846 0.857143
150 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
151 MTT 0.403846 0.857143
152 BMA MAN BMA 0.403846 0.857143
153 GLC GLC BGC 0.403846 0.857143
154 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
155 GAL GAL GAL 0.403846 0.857143
156 GLC 7LQ 0.4 0.857143
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
Feedback