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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 O(C1C...
GLC FRU A:253;
Valid;
none;
submit data
342.297 n/a O(C1C...
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 510 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 (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 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 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
12 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
13 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5T55 Kd = 0.68 nM NGA GLA GAL BGC n/a n/a
2 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MAN MMA n/a n/a
9 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
10 1N3Q - GLC BDF n/a n/a
11 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - FUC GAL MAG FUC n/a n/a
17 1GSL - FUC GAL MAG FUC n/a n/a
18 1V00 - LAT C12 H22 O11 C([C@@H]1[....
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - GAL BGC n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
30 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
44 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - GAL MGC n/a n/a
48 2DV9 - GAL GAL n/a n/a
49 1V6K - GAL GLC n/a n/a
50 1V6L - GAL BGC n/a n/a
51 2DVD - GAL GAL n/a n/a
52 2TEP - GAL NGA n/a n/a
53 2DVB - GAL C6 H12 O6 C([C@@H]1[....
54 1V6I - GAL GLC n/a n/a
55 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
56 1G9F - GAL NAG GAL NAG GAL n/a n/a
57 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
58 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
59 2ZMK - GLA EGA n/a n/a
60 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
61 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC BDF; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BDF 1 1
2 TUR 0.583333 0.871795
3 GLC FRU 0.583333 0.871795
4 BTU 0.583333 0.871795
5 TRE 0.471698 0.916667
6 BMA FRU 0.461538 0.871795
7 FRU GAL 0.461538 0.871795
8 BGC BGC 0.453125 0.944444
9 BMA BMA 0.453125 0.944444
10 BQZ 0.423729 0.833333
11 5QP 0.41791 0.916667
12 BGC OXZ 0.411765 0.66
13 DOM 0.409091 0.918919
14 M3M 0.40625 0.916667
15 LB2 0.40625 0.916667
16 MAN GLC 0.40625 0.916667
17 NGR 0.40625 0.916667
18 NOJ GLC 0.405797 0.723404
19 BGC BGC BGC FRU 0.405405 0.897436
Ligand no: 2; Ligand: GLC FRU; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 TUR 1 1
2 GLC FRU 1 1
3 BTU 1 1
4 GLC BDF 0.583333 0.871795
5 BMA FRU 0.551724 1
6 FRU GAL 0.551724 1
7 TRE 0.520833 0.842105
8 BGC BGC BGC FRU 0.477612 0.973684
9 BQZ 0.462963 0.763158
10 RZM 0.42623 0.777778
11 GLA MBG 0.423729 0.8
12 LAT GLA 0.423729 0.842105
13 2M4 0.423729 0.842105
14 B2G 0.416667 0.842105
15 CBI 0.416667 0.842105
16 LAT 0.416667 0.842105
17 CBK 0.416667 0.842105
18 MAB 0.416667 0.842105
19 N9S 0.416667 0.842105
20 GAL BGC 0.416667 0.842105
21 M3M 0.416667 0.842105
22 LBT 0.416667 0.842105
23 BMA GAL 0.416667 0.842105
24 LB2 0.416667 0.842105
25 GLA GLA 0.416667 0.842105
26 MAL 0.416667 0.842105
27 GLA GAL 0.416667 0.842105
28 BGC BMA 0.416667 0.842105
29 BGC GAL 0.416667 0.842105
30 GLC GAL 0.416667 0.842105
31 MAN GLC 0.416667 0.842105
32 NGR 0.416667 0.842105
33 GLC IFM 0.415385 0.666667
34 MAN IFM 0.415385 0.666667
35 5QP 0.40625 0.794872
36 GAL MBG 0.403226 0.8
37 T6P 0.403226 0.702128
38 M13 0.403226 0.8
39 MDM 0.403226 0.8
40 DR5 0.403226 0.8
41 MMA MAN 0.403226 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AR6; Ligand: NAG MAN; Similar sites found with APoc: 127
This union binding pocket(no: 1) in the query (biounit: 2ar6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 1TKU 5RP 0.980392
3 1TDF FAD 1.19048
4 4RDN 6MD 1.1976
5 5OFW 9TW 1.34529
6 1C3X 8IG 1.5873
7 1VDC FAD 1.5873
8 1WHT BZS 1.96078
9 3VPH OXM 1.98413
10 2P3V SRT 2.34375
11 1L7N ALF 2.36967
12 4M52 FAD 2.38095
13 2A8X FAD 2.38095
14 6H3O FAD 2.38095
15 4M52 M52 2.38095
16 3BP1 GUN 2.38095
17 2HIM ASN 2.38095
18 1V59 FAD 2.77778
19 3RNM FAD 2.77778
20 6F7L FAD 2.77778
21 1U1J MET 2.77778
22 1DQS NAD 2.77778
23 2X0K PPV 2.95858
24 2F7A BEZ 3.01724
25 3AB1 FAD 3.05556
26 3I7S PYR 3.1746
27 1FL2 FAD 3.1746
28 5NII FAD 3.1746
29 1I9G SAM 3.1746
30 2Z6J FMN 3.1746
31 5TQZ GLC 3.33333
32 1VL8 NAP 3.57143
33 5J5Z FAD 3.57143
34 2EFX NFA 3.57143
35 1NAA 6FA 3.57143
36 1O94 ADP 3.57143
37 5J7X FAD 3.57143
38 1NAA ABL 3.57143
39 1O94 AMP 3.57143
40 3ORF NAD 3.58566
41 6GAS FAD 3.62538
42 1MO9 FAD 3.96825
43 1MO9 KPC 3.96825
44 4YKG NAD 3.96825
45 4YKG FAD 3.96825
46 2B9W FAD 3.96825
47 5YB7 FAD 3.96825
48 5YB7 ORN 3.96825
49 5TWB FAD 4.36047
50 2Q0L FAD 4.36508
51 5U8U FAD 4.36508
52 3HDY FAD 4.36508
53 3HDY GDU 4.36508
54 2YG3 FAD 4.36508
55 2CUN 3PG 4.36508
56 3ICT FAD 4.36508
57 1EU1 MGD 4.36508
58 3LLZ GAL NGA 4.51128
59 1GET NAP 4.7619
60 1GET FAD 4.7619
61 1GPM CIT 4.7619
62 1FEC FAD 4.7619
63 1PS9 FAD 4.7619
64 4H4D 10E 4.7619
65 1QXO EPS 4.7619
66 5YRG BGC GLC 4.92958
67 5YRF GLC GLC 4.92958
68 3BY8 MLT 4.92958
69 1ZK7 FAD 5.15873
70 6F97 FAD 5.15873
71 5TE1 7A2 5.15873
72 1TUU ADP 5.55556
73 1TUU AMP 5.55556
74 4WOP CTP 5.55556
75 5YRI GLC GLC 6.33803
76 5YRM BGC GLC 6.33803
77 5YRL GLC GLC 6.33803
78 5YRJ BGC GLC 6.33803
79 4UP3 FAD 6.34921
80 3RIY NAD 6.34921
81 2JK0 ASP 6.34921
82 2XVF FAD 6.34921
83 2NU5 NAG 6.55738
84 2GUE NAG 6.55738
85 2GUC MAN 6.55738
86 2GUD MAN 6.55738
87 2HYR BGC GLC 6.55738
88 2HYQ MAN MAN 6.55738
89 2NUO BGC 6.55738
90 2GUD BMA 6.55738
91 4QB6 GCU XYP 6.70732
92 4PLT OXM 6.74603
93 2XVE FAD 6.74603
94 4PLT NAI 6.74603
95 3VY6 BGC BGC 7.0922
96 1FFU CDP 7.14286
97 3LAD FAD 7.53968
98 4Z24 FAD 7.53968
99 5W19 9TD 7.53968
100 2A9G ARG 7.89474
101 2Q7V FAD 7.93651
102 3F8D FAD 7.93651
103 3AD8 NAD 7.93651
104 2GVC FAD 9.52381
105 2GV8 FAD 9.52381
106 4RPL FAD 9.92064
107 4RPL 3UC 9.92064
108 5LXT GTP 11.1111
109 3RYC GTP 11.1111
110 4LNU GTP 11.1111
111 5EYP GTP 11.1111
112 2HQM FAD 11.5079
113 2VVM FAD 11.5079
114 2VVL FAD 11.5079
115 4AKB GAL 12.782
116 5FS0 5JC 12.7962
117 3R51 MMA 13.75
118 4GYW UDP 13.8889
119 4FWE FAD 14.6825
120 1BZL FAD 15.4762
121 3QFA FAD 15.873
122 4J56 FAD 18.4211
123 2DUR MAN MAN 19.8413
124 4ZNO SUC 21.0317
125 2F5Z FAD 25
126 5ITZ GTP 27.907
127 5EIB GTP 30.4348
Pocket No.: 2; Query (leader) PDB : 2AR6; Ligand: NAG MAN MAN MAN NAG; Similar sites found with APoc: 121
This union binding pocket(no: 2) in the query (biounit: 2ar6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 5FQ0 FLC None
3 1TKU 5RP 0.980392
4 1TDF NAP 1.19048
5 1TDF FAD 1.19048
6 1YKJ FAD 1.98413
7 1YKJ PHB 1.98413
8 1KNM LAT 2.30769
9 2P3V SRT 2.34375
10 1L7N ALF 2.36967
11 4M52 FAD 2.38095
12 2HIM ASN 2.38095
13 6H3O FAD 2.38095
14 2HIM ASP 2.38095
15 5XG5 A2G 2.75862
16 6F7L FAD 2.77778
17 1U1J MET 2.77778
18 5TTJ FAD 2.77778
19 2F7A BEZ 3.01724
20 1FL2 FAD 3.1746
21 3I7S PYR 3.1746
22 3NKS FAD 3.1746
23 5NII FAD 3.1746
24 5TQZ GLC 3.33333
25 2EFX NFA 3.57143
26 2IVD FAD 3.57143
27 5EXW 7DT 3.57143
28 5YV5 ADP 3.57143
29 1NAA 6FA 3.57143
30 1MO9 FAD 3.96825
31 1MO9 KPC 3.96825
32 4YKG NAD 3.96825
33 4YKG FAD 3.96825
34 5YB7 ORN 3.96825
35 2B9W FAD 3.96825
36 5JIB OIA 3.96825
37 5TWB FAD 4.36047
38 2Q0L FAD 4.36508
39 3HDY GDU 4.36508
40 3HDY FDA 4.36508
41 3GF4 UPG 4.36508
42 3GF4 FAD 4.36508
43 2CUN 3PG 4.36508
44 3HDY FAD 4.36508
45 3LLZ GAL NGA 4.51128
46 1GPM CIT 4.7619
47 1GET FAD 4.7619
48 1GET NAP 4.7619
49 1LVL FAD 4.7619
50 4U8P UDP 4.7619
51 4U8P FDA 4.7619
52 4H4D 10E 4.7619
53 1PS9 FAD 4.7619
54 1QXO EPS 4.7619
55 3QVP FAD 4.7619
56 5YRG BGC GLC 4.92958
57 5YRF GLC GLC 4.92958
58 2RAB FAD 5.15873
59 5TE1 7A2 5.15873
60 4NST AF3 5.15873
61 4DSG UDP 5.15873
62 4DSG FAD 5.15873
63 1GTE FAD 5.15873
64 6HKE MLT 5.15873
65 4A34 FUL 5.44218
66 1TUU ADP 5.55556
67 1TUU AMP 5.55556
68 1Q9I TEO 5.55556
69 1Q9I FAD 5.55556
70 4WOP CTP 5.55556
71 5YRI GLC GLC 6.33803
72 5YRL GLC GLC 6.33803
73 5YRM BGC GLC 6.33803
74 5YRJ BGC GLC 6.33803
75 2JK0 ASP 6.34921
76 4UP3 FAD 6.34921
77 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 6.50407
78 2NU5 NAG 6.55738
79 2NUO BGC 6.55738
80 2GUD BMA 6.55738
81 2GUE NAG 6.55738
82 2GUC MAN 6.55738
83 2GUD MAN 6.55738
84 2HYR BGC GLC 6.55738
85 2HYQ MAN MAN 6.55738
86 3LZW NAP 6.62651
87 4QB6 GCU XYP 6.70732
88 4MO2 FDA 6.74603
89 4MO2 FAD 6.74603
90 4REP FAD 6.74603
91 2IID PHE 6.74603
92 2IID FAD 6.74603
93 3VY6 BGC BGC 7.0922
94 1GPE FAD 7.14286
95 1SQL GUN 7.53425
96 3LAD FAD 7.53968
97 1DCP HBI 7.69231
98 2A9G ARG 7.89474
99 2Q7V FAD 7.93651
100 3F8D FAD 7.93651
101 3K7M FAD 9.52381
102 4RPL 3UC 9.92064
103 4RPL FAD 9.92064
104 1LDN FBP 10.3175
105 5LXT GTP 11.1111
106 5EYP GTP 11.1111
107 2VVL FAD 11.5079
108 2VVM FAD 11.5079
109 4QBK 3NZ 12.6984
110 4AKB GAL 12.782
111 5ODQ FAD 12.8571
112 3R51 MMA 13.75
113 1BZL FAD 15.4762
114 3QFA FAD 15.873
115 4XPQ FUL 17.4603
116 4J56 FAD 18.4211
117 2DUR MAN MAN 19.8413
118 4ZNO SUC 21.0317
119 2G50 ALA 23.8095
120 5ITZ GTP 27.907
121 5EIB GTP 30.4348
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