Receptor
PDB id Resolution Class Description Source Keywords
1KZA 1.74 Å NON-ENZYME: BINDING COMPLEX OF MBP-C AND MAN-A13-MAN RATTUS NORVEGICUS PROTEIN-CARBOHYDRATE COMPLEX IMMUNE SYSTEM SUGAR BINDING PROTEIN
Ref.: ORIENTATION OF BOUND LIGANDS IN MANNOSE-BINDING PROTEINS. IMPLICATIONS FOR MULTIVALENT LIGAND RECOGNITION. J.BIOL.CHEM. V. 277 16088 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA 1:501;
1:502;
2:601;
2:602;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL 1:503;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MAN 1:1001;
2:2001;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RDL 1.7 Å NON-ENZYME: BINDING MANNOSE-BINDING PROTEIN, SUBTILISIN DIGEST FRAGMENT COMPLEX WITH ALPHA-METHYL-D-MANNOPYRANOSIDE (0.2 M) RATTUS RATTUS C-TYPE LECTIN CALCIUM-BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF MONOSACCHARIDE RECOGNITION BY RAT LIVER MANNOSE-BINDING PROTEIN. J.BIOL.CHEM. V. 271 663 1996
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
2 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
3 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
4 1KZC - MAN C6 H12 O6 C([C@@H]1[....
5 1KZA - MAN C6 H12 O6 C([C@@H]1[....
6 1KZE - MAN C6 H12 O6 C([C@@H]1[....
7 1RDN Ki = 14.4 mM NDG C8 H15 N O6 CC(=O)N[C@....
8 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
9 1KZB - MAN C6 H12 O6 C([C@@H]1[....
10 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
11 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2MSB Ki = 1.3 mM NAG BMA MAN MAN MAN MAN MAN n/a n/a
2 1KWY - MAN MAN n/a n/a
3 1FIH - NGA C8 H15 N O6 CC(=O)N[C@....
4 4KMB - G4S MAG FUC n/a n/a
5 1BCH - NGA C8 H15 N O6 CC(=O)N[C@....
6 1KWV - NAG C8 H15 N O6 CC(=O)N[C@....
7 1KWU - MMA C7 H14 O6 CO[C@@H]1[....
8 1KWZ - MAN MAN n/a n/a
9 1AFA - MBG C7 H14 O6 CO[C@H]1[C....
10 3KMB - FUC C6 H12 O5 C[C@H]1[C@....
11 2KMB - SIA GAL MAG FUC n/a n/a
12 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
13 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
14 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
15 1KZC - MAN C6 H12 O6 C([C@@H]1[....
16 1KZA - MAN C6 H12 O6 C([C@@H]1[....
17 1KZE - MAN C6 H12 O6 C([C@@H]1[....
18 1RDN Ki = 14.4 mM NDG C8 H15 N O6 CC(=O)N[C@....
19 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
20 1KZB - MAN C6 H12 O6 C([C@@H]1[....
21 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
22 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 3IKN - GAL C6 H12 O6 C([C@@H]1[....
6 2MSB Ki = 1.3 mM NAG BMA MAN MAN MAN MAN MAN n/a n/a
7 4DN8 - BMA C6 H12 O6 C([C@@H]1[....
8 1AFB - NGA C8 H15 N O6 CC(=O)N[C@....
9 1KWW - MFU C7 H14 O5 C[C@H]1[C@....
10 1KX0 - MAN MAN n/a n/a
11 1KWY - MAN MAN n/a n/a
12 1FIH - NGA C8 H15 N O6 CC(=O)N[C@....
13 4KMB - G4S MAG FUC n/a n/a
14 1BCH - NGA C8 H15 N O6 CC(=O)N[C@....
15 1KWV - NAG C8 H15 N O6 CC(=O)N[C@....
16 1KWX - MFB C7 H14 O5 C[C@H]1[C@....
17 1KWU - MMA C7 H14 O6 CO[C@@H]1[....
18 1KWZ - MAN MAN n/a n/a
19 1AFA - MBG C7 H14 O6 CO[C@H]1[C....
20 3KMB - FUC C6 H12 O5 C[C@H]1[C@....
21 2KMB - SIA GAL MAG FUC n/a n/a
22 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
23 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
24 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
25 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
26 2RIE - 293 C7 H14 O6 C1[C@H]([C....
27 2RIC - GMH GMH n/a n/a
28 3G84 - MAN MAN n/a n/a
29 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
30 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
31 2GGU ic50 = 0.94 mM MLR C18 H32 O16 C([C@@H]1[....
32 3G83 - MAN MAN n/a n/a
33 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
34 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
35 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
36 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
37 1KZC - MAN C6 H12 O6 C([C@@H]1[....
38 1KZA - MAN C6 H12 O6 C([C@@H]1[....
39 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
40 1KZB - MAN C6 H12 O6 C([C@@H]1[....
41 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
42 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[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 : 1RDL; Ligand: MMA; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 1rdl.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N87 N66 0.01981 0.42467 None
2 4D2S DYK 0.008306 0.41065 None
3 5THQ NDP 0.02317 0.40994 None
4 4YHB FAD 0.02042 0.40846 None
5 1TMM APC 0.002615 0.45406 2.65487
6 1TMM HHR 0.002477 0.45406 2.65487
7 3R96 ACO 0.008255 0.4517 2.65487
8 5F5N NAD 0.005951 0.41692 2.65487
9 5W8V 9YP 0.016 0.40647 2.65487
10 5W4W 9WG 0.04021 0.40284 2.65487
11 2RCU BUJ 0.0422 0.40407 3.53982
12 1BB6 UMG 0.002146 0.4313 4.42478
13 1LSZ NDG NAG NAG NAG 0.002561 0.41284 4.42478
14 5N0F 7K2 0.02458 0.40201 4.42478
15 5L83 ASP TRP GLU ILE VAL 0.01301 0.40262 4.46429
16 1NLU IVA PHI TYB 0.002097 0.46003 6.19469
17 1FIW PBZ 0.002979 0.45894 6.19469
18 3UW4 MAA CHG PRO 0DQ 0.01541 0.40181 6.52174
19 5TCI 79V 0.003695 0.45599 7.9646
20 5XDT MB3 0.01165 0.42457 9.73451
21 2PKA BEN 0.002393 0.45553 10.6195
22 4XSU GLC 0.01327 0.43428 10.6195
23 4XSU UDP 0.01327 0.43428 10.6195
24 1G42 CP2 0.01968 0.40201 10.6195
25 3HCN CHD 0.008275 0.42166 12.3894
26 4M0R 644 0.007574 0.44353 13.2743
27 5TZ9 7SD 0.01328 0.42806 26.5487
28 5LXC 7AA 0.02151 0.4103 28.3186
29 3UTU 1TS 0.005219 0.47111 34.5133
30 1TMT DPN PRO ARG 0.004427 0.4588 34.5133
31 2CN0 F25 0.008728 0.43349 34.5133
32 1SL3 170 0.01079 0.43164 34.5133
33 5JQ1 ZPF 0.00000005419 0.71385 35.3982
34 5KTI TRE 6X6 0.0000000006134 0.80228 41.5929
35 2VUZ NAG BMA NAG MAN MAN NAG NAG 0.000000002736 0.60257 41.5929
36 1G1T SIA GAL MAG FUC 0.00007271 0.46146 44.2478
Pocket No.: 2; Query (leader) PDB : 1RDL; Ligand: MMA; 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: 1rdl.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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