Receptor
PDB id Resolution Class Description Source Keywords
1XXR 2 Å NON-ENZYME: BINDING STRUCTURE OF A MANNOSE-SPECIFIC JACALIN-RELATED LECTIN FROM NIGRA IN COMPLEX WITH MANNOSE MORUS NIGRA TETRAMERIC B-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE JACALIN-RELATED LECTIN M FROM THE BLACK MULBERRY (MORUS NIGRA) IN COMPLEX WI MANNOSE FEBS J. V. 272 3725 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:1426;
C:1424;
D:1425;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
GOL A:1371;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MAN B:725;
C:726;
D:727;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
SO4 B:3018;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XXR 2 Å NON-ENZYME: BINDING STRUCTURE OF A MANNOSE-SPECIFIC JACALIN-RELATED LECTIN FROM NIGRA IN COMPLEX WITH MANNOSE MORUS NIGRA TETRAMERIC B-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE JACALIN-RELATED LECTIN M FROM THE BLACK MULBERRY (MORUS NIGRA) IN COMPLEX WI MANNOSE FEBS J. V. 272 3725 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1XXR - MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1XXR - MAN C6 H12 O6 C([C@@H]1[....
2 5TQZ - GLC C6 H12 O6 C([C@@H]1[....
3 5M6O - MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1XXR - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XXR; Ligand: MAN; Similar sites found: 163
This union binding pocket(no: 1) in the query (biounit: 1xxr.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CNE SAH 0.01033 0.41359 1.24224
2 4CS4 ANP 0.0186 0.42503 1.86335
3 4CS4 AXZ 0.02281 0.42503 1.86335
4 4ZRN NAD 0.01698 0.4147 1.86335
5 2C0U FAD NBT 0.03022 0.41187 1.86335
6 4ZRN UPG 0.04573 0.40056 1.86335
7 2BRY FAD 0.04005 0.40045 1.86335
8 1H82 FAD 0.01651 0.44108 2.48447
9 1H82 GZZ 0.0186 0.44108 2.48447
10 3IWJ NAD 0.006278 0.41861 3.10559
11 2IMP NAI 0.0217 0.41787 3.10559
12 3X1Z GNP 0.03084 0.40822 3.10559
13 1YKD CMP 0.01712 0.40672 3.10559
14 5TTJ FAD 0.04449 0.40192 3.10559
15 1LFD GNP 0.03599 0.40365 3.44828
16 2X6T NAP 0.00275 0.46548 3.72671
17 1LYX PGA 0.006132 0.42809 3.72671
18 3KXW 1ZZ 0.01578 0.42532 3.72671
19 5N9X THR 0.003395 0.42254 3.72671
20 3RFV 15L 0.02464 0.41641 3.72671
21 3CB2 GDP 0.01757 0.40452 3.72671
22 5GWX SAM 0.04095 0.40421 3.72671
23 5GWX SAR 0.04095 0.40421 3.72671
24 3DLS ADP 0.01182 0.40338 3.72671
25 5DHF GNP 0.03009 0.40215 3.72671
26 1XHC FAD 0.0157 0.43283 3.81471
27 3RYC GTP 0.01161 0.43004 4.34783
28 4ZG4 VO4 ADP 0.01192 0.4259 4.34783
29 1N4W FAD 0.03833 0.42465 4.34783
30 3RYC GDP 0.01149 0.42339 4.34783
31 1YY5 FAD 0.02428 0.41814 4.34783
32 1ORR NAD 0.01474 0.41683 4.34783
33 4I42 1HA 0.01885 0.4135 4.34783
34 3B6C SDN 0.005922 0.40952 4.34783
35 1RSG FAD 0.03295 0.40858 4.34783
36 2RGX AP5 0.03035 0.40762 4.34783
37 1U6R ADP 0.01641 0.40627 4.34783
38 1D4D FAD 0.03928 0.40518 4.34783
39 4X7R 3YW 0.02909 0.40338 4.34783
40 1H5S TMP 0.01042 0.42377 4.43686
41 3QXV MTX 0.002517 0.44608 4.7619
42 1EQ2 NAP 0.001417 0.47607 4.96894
43 5C5H 4YB 0.006117 0.45254 4.96894
44 2CUN 3PG 0.0008901 0.45048 4.96894
45 1ELI PYC 0.01364 0.42634 4.96894
46 5A1S FLC 0.006598 0.41684 4.96894
47 3IES M24 0.02676 0.41613 4.96894
48 1VPE ANP 0.019 0.41117 4.96894
49 2O07 MTA 0.02749 0.41011 4.96894
50 2O07 SPD 0.03018 0.41011 4.96894
51 2OEM 1AE 0.0137 0.4098 4.96894
52 2NVK FAD 0.02916 0.40844 4.96894
53 3AI8 HNQ 0.009308 0.40579 4.96894
54 4UIN QI9 0.01181 0.4054 4.96894
55 3ORF NAD 0.03727 0.40523 4.96894
56 5X8G S0N 0.01969 0.43957 5.59006
57 1OFD FMN 0.008239 0.42825 5.59006
58 2Q4W FAD 0.0185 0.42343 5.59006
59 5AOA PPI 0.001487 0.42017 5.59006
60 5THY SAH 0.01924 0.41632 5.59006
61 5THZ SAH 0.02379 0.41307 5.59006
62 1NVV GNP 0.0303 0.40665 5.59006
63 3N71 SFG 0.0165 0.40325 5.59006
64 2XVF FAD 0.04856 0.4032 5.59006
65 1JWY ADP 0.01376 0.40273 5.59006
66 4N49 SAM 0.0293 0.40151 5.59006
67 1OFD AKG 0.04296 0.40133 5.59006
68 1QZZ SAM 0.01661 0.40125 5.59006
69 4PIO SAH 0.04684 0.41404 6.21118
70 1DJN ADP 0.01926 0.40934 6.21118
71 1O94 ADP 0.02118 0.40789 6.21118
72 5JWC FAD 0.03362 0.40673 6.21118
73 4U7W NDP 0.009671 0.43066 6.66667
74 2GV8 FAD 0.008466 0.44377 6.8323
75 2GVC FAD 0.01131 0.43331 6.8323
76 1DJL NAP 0.01462 0.4296 6.8323
77 1YKJ FAD 0.04901 0.4278 6.8323
78 1YKJ PHB 0.04901 0.4278 6.8323
79 4MO2 FDA 0.03378 0.4193 6.8323
80 2JAH NDP 0.03483 0.40595 6.8323
81 3KO8 NAD 0.0333 0.40457 6.8323
82 5G3U ITW 0.03713 0.40342 6.8323
83 5G5G FAD 0.01752 0.42341 6.9869
84 3MJY FMN 0.03362 0.40726 7.45342
85 3MJY IJZ 0.03362 0.40726 7.45342
86 3DDC GNP 0.03211 0.40547 7.45342
87 3RC3 ANP 0.0143 0.40234 7.45342
88 4YRY FAD 0.007777 0.45622 8.07453
89 5EY9 5SV 0.01713 0.41621 8.07453
90 3OIX FMN 0.01754 0.4152 8.07453
91 3QV1 NAD 0.03478 0.40449 8.07453
92 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.04289 0.40196 8.42105
93 2OGA PGU 0.01027 0.42423 8.69565
94 2F5Z FAD 0.04036 0.42078 8.69565
95 3ZS7 ATP 0.0181 0.42025 8.69565
96 4CTA ATP 0.01144 0.4121 8.69565
97 1F06 NDP 0.02929 0.41088 8.69565
98 1F06 2NP 0.02929 0.41088 8.69565
99 4C3Y FAD 0.04282 0.41056 8.69565
100 1CCW TAR 0.02244 0.40537 8.69565
101 4YSX FAD 0.01431 0.43274 9.31677
102 2YG3 FAD 0.02448 0.42631 9.31677
103 5K8B PDG 0.01283 0.42142 9.31677
104 2YAJ 4HP 0.01709 0.40135 9.31677
105 4ZNO SUC 0.00000009917 0.61926 9.93789
106 3FUU ADN 0.008461 0.4203 9.93789
107 1R37 NAD 0.03249 0.41237 10.3746
108 4X9M FAD 0.008393 0.44184 10.559
109 2YVF FAD 0.03436 0.4269 10.559
110 2YVF NAD 0.03511 0.4269 10.559
111 1QZR ANP 0.01722 0.41747 10.559
112 5UAO FAD 0.03696 0.40709 10.559
113 1NJR XYL 0.0499 0.40704 10.559
114 5ITZ GTP 0.004186 0.45569 11.1801
115 1GXS DKA 0.006201 0.41306 11.1801
116 2Y7I ARG 0.02004 0.40578 11.1801
117 3ACL 3F1 0.01977 0.40232 11.1801
118 1U1W 3HA 0.01923 0.40023 11.1801
119 5CAE SIN 0.007948 0.45496 11.8012
120 5LXT GTP 0.01913 0.4491 11.8012
121 5LXT GDP 0.04647 0.42844 11.8012
122 5LXT 7AK 0.04507 0.42844 11.8012
123 4HDQ GNP 0.02347 0.41774 11.8012
124 1REO FAD 0.02886 0.41565 11.8012
125 4I5I NAD 0.02403 0.41346 11.8012
126 4KXQ APR 0.02124 0.4099 11.8012
127 4HDO GNP 0.02641 0.40898 11.8012
128 1ZGA SAH 0.009171 0.42436 12.4224
129 4BGB ADP 0.01499 0.40279 12.4224
130 2Z3Y F2N 0.04156 0.40341 13.0435
131 2DUR MAN MAN 0.0002578 0.47611 13.6646
132 5N69 ADP 0.007492 0.42319 13.6646
133 5EYP GTP 0.004696 0.45207 14.2857
134 5EYP GDP 0.0119 0.42566 14.2857
135 4J5R A1R 0.03324 0.40291 15.7534
136 3GJX GTP 0.03041 0.40698 16.1491
137 3HRD MCN 0.04771 0.40028 16.25
138 4YEF 4CQ 0.02849 0.4029 16.8539
139 1NM5 NAP 0.02447 0.43859 19.2547
140 2OOR TXP 0.02178 0.40823 19.2547
141 4LNU GTP 0.006516 0.44386 19.8758
142 5EIB GTP 0.00798 0.43638 19.8758
143 4LNU GDP 0.008854 0.4267 19.8758
144 3VC3 C6P 0.02288 0.40131 19.8758
145 4D04 FAD 0.01629 0.44605 20.4969
146 4D04 NAP 0.01629 0.44605 20.4969
147 5D6J ATP 0.03394 0.40267 20.4969
148 3A75 GLU 0.01008 0.40629 21.118
149 2GUC MAN 0.0000000002466 0.81899 23.7705
150 2NU5 NAG 0.0000000003476 0.80566 23.7705
151 2GUD MAN 0.0000000002463 0.69906 23.7705
152 2HYR BGC GLC 0.0000000004649 0.68398 23.7705
153 2NUO BGC 0.000000001209 0.66143 23.7705
154 2GUD BMA 0.000000004141 0.63828 23.7705
155 2HYQ MAN MAN 0.00000006211 0.62717 23.7705
156 2GUE NAG 0.00000006756 0.54676 23.7705
157 2BTO GTP 0.0226 0.4048 24.0741
158 1E96 GTP 0.03723 0.4045 24.8447
159 4XOI GTP 0.03871 0.40224 24.8447
160 2VVL FAD 0.00531 0.45762 25.4658
161 3R51 MMA 0.0002433 0.46424 28.5714
162 3VY6 BGC BGC 0.000000001078 0.65931 29.078
163 2VVM FAD 0.005525 0.455 30.4348
Pocket No.: 2; Query (leader) PDB : 1XXR; Ligand: MAN; 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: 1xxr.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XXR; Ligand: MAN; 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: 1xxr.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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