Receptor
PDB id Resolution Class Description Source Keywords
1UKG 1.7 Å NON-ENZYME: BINDING PTEROCARPS ANGOLENSIS LECTIN PAL IN COMPLEX WITH METHYL- ALPHA-MANNOSE PTEROCARPUS ANGOLENSIS LECTIN MANNOSE CARBOHYDRATE SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF OLIGOMANNOSE RECOGNITION BY THE PTEROCARPUS ANGOLENSIS SEED LECTIN J.MOL.BIOL. V. 335 1227 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1262;
B:2262;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MMA A:1251;
B:2251;
Valid;
Valid;
none;
none;
submit data
194.182 C7 H14 O6 CO[C@...
MN A:261;
B:261;
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
1UKG 1.7 Å NON-ENZYME: BINDING PTEROCARPS ANGOLENSIS LECTIN PAL IN COMPLEX WITH METHYL- ALPHA-MANNOSE PTEROCARPUS ANGOLENSIS LECTIN MANNOSE CARBOHYDRATE SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF OLIGOMANNOSE RECOGNITION BY THE PTEROCARPUS ANGOLENSIS SEED LECTIN J.MOL.BIOL. V. 335 1227 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1UKG - MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1UKG - MMA C7 H14 O6 CO[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 1UKG - MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MMA; 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 : 1UKG; Ligand: MMA; Similar sites found: 126
This union binding pocket(no: 1) in the query (biounit: 1ukg.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RDN 6MD 0.002867 0.43584 1.1976
2 5OFW 9TW 0.005447 0.41314 1.34529
3 1TB3 FMN 0.02089 0.41401 1.98413
4 1U2Z SAH 0.02228 0.40469 1.98413
5 3O03 NAP 0.03356 0.4029 1.98413
6 5DEP UD1 0.01999 0.42535 2.38095
7 3BP1 GUN 0.005723 0.41959 2.38095
8 5L4S 6KX 0.03107 0.4186 2.38095
9 5L4S NAP 0.03107 0.4186 2.38095
10 3QFU ADP 0.0173 0.41011 2.38095
11 4RGQ NDP 0.02758 0.40993 2.38095
12 4RGQ 13P 0.03298 0.40993 2.38095
13 4ZUR 7XA 0.02636 0.40352 2.38095
14 2PT9 S4M 0.03104 0.40191 2.38095
15 5E9W SAH 0.02456 0.40077 2.38095
16 1JQ9 PHE LEU SER TYR LYS 0.0404 0.4047 2.47934
17 1L3I SAH 0.03062 0.40597 2.77778
18 2JG1 ANP 0.02645 0.40282 2.77778
19 5THQ NDP 0.02014 0.41914 2.94118
20 4USQ FAD 0.006703 0.45226 3.1746
21 1I9G SAM 0.002998 0.44563 3.1746
22 3I7S PYR 0.003844 0.41733 3.1746
23 1A59 COA 0.01483 0.41507 3.1746
24 5A1S FLC 0.0135 0.40263 3.1746
25 4NBW NAD 0.02708 0.40233 3.1746
26 5TQZ GLC 0.00001186 0.54288 3.33333
27 1HXD BTN 0.002283 0.45942 3.57143
28 5J7X FAD 0.02429 0.42308 3.57143
29 1UP7 NAD 0.03137 0.40182 3.57143
30 5UAO FAD 0.0322 0.42153 3.96825
31 1RP0 AHZ 0.02198 0.41978 3.96825
32 4N49 SAM 0.01805 0.40923 3.96825
33 1MHW BP4 CYS DAR TYR PEA 0.01432 0.42525 4
34 1U9Q 186 0.003867 0.44243 4.18605
35 4O33 3PG 0.01414 0.44491 4.36508
36 2D1S SLU 0.009091 0.43896 4.36508
37 2CUN 3PG 0.002266 0.42014 4.36508
38 5FPE 3TR 0.01169 0.4194 4.36508
39 3O26 NDP 0.03657 0.40277 4.36508
40 3ZEU ADP 0.01678 0.40112 4.45104
41 1DMR PGD 0.02033 0.43877 4.7619
42 2NYR SVR 0.03514 0.43322 4.7619
43 4PIO SAH 0.02424 0.41836 4.7619
44 4B9Q ATP 0.01658 0.41579 4.7619
45 5HRA DAS 0.01356 0.41417 4.7619
46 5L3S GNP 0.024 0.40711 4.7619
47 4H4D 10E 0.0005885 0.40672 4.7619
48 2BUP ADP 0.02877 0.40537 4.98688
49 2BUP ATP 0.02877 0.40537 4.98688
50 1QO8 FAD 0.03035 0.42296 5.15873
51 5JCA FAD 0.03198 0.42089 5.15873
52 3CB2 GDP 0.01088 0.41283 5.15873
53 5IXJ THR 0.03895 0.40706 5.30303
54 4USR FAD 0.003899 0.46692 5.55556
55 4M0F 1YK 0.02324 0.41875 5.55556
56 1BC5 SAH 0.01797 0.41527 5.55556
57 1RRM APR 0.01783 0.4138 5.55556
58 5DX0 SFG 0.02902 0.41082 5.55556
59 5DX1 SFG 0.03376 0.40507 5.55556
60 5DX8 SFG 0.03337 0.40425 5.55556
61 1P4C FMN 0.04406 0.40102 5.55556
62 2CKM AA7 0.03757 0.41636 5.95238
63 4BV6 FAD 0.04619 0.40683 5.95238
64 3X1Z GNP 0.02317 0.41225 5.98802
65 5AHW CMP 0.01302 0.41012 6.12245
66 4JEJ 1GP 0.01388 0.40144 6.14754
67 5UWS GNP 0.02486 0.41751 6.32911
68 5DHF GNP 0.02925 0.41143 6.32911
69 5DIF GNP 0.03046 0.41022 6.32911
70 5UWT GNP 0.03231 0.40824 6.32911
71 5UWR GNP 0.03491 0.40574 6.32911
72 5UWI GNP 0.03566 0.40552 6.32911
73 1KBI PYR 0.0207 0.40928 6.34921
74 2XVF FAD 0.04491 0.40896 6.34921
75 2JK0 ASP 0.01165 0.40371 6.34921
76 5GT9 NAP 0.0392 0.40187 6.34921
77 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0002054 0.50122 6.50407
78 2HYR BGC GLC 0.000002586 0.56753 6.55738
79 2GUD MAN 0.000002069 0.56737 6.55738
80 2GUC MAN 0.000001709 0.56565 6.55738
81 2NU5 NAG 0.000002207 0.55846 6.55738
82 2NUO BGC 0.0000101 0.52551 6.55738
83 2GUE NAG 0.000001008 0.50107 6.55738
84 2HYQ MAN MAN 0.00001764 0.48985 6.55738
85 2GUD BMA 0.000005932 0.48631 6.55738
86 2BTO GTP 0.006941 0.43571 6.74603
87 4MO2 FDA 0.0357 0.41084 6.74603
88 4HAT GNP 0.03578 0.4072 6.94444
89 3VY6 BGC BGC 0.00001903 0.49847 7.0922
90 1GPE FAD 0.02515 0.42779 7.14286
91 3IO3 ADP 0.01443 0.41934 7.14286
92 5KVS NAP 0.03168 0.40152 7.14286
93 3LAD FAD 0.006968 0.45141 7.53968
94 4Z24 FAD 0.03353 0.4189 7.53968
95 2C91 NAP 0.02989 0.41718 7.53968
96 4JBI NDP 0.02255 0.41697 7.53968
97 2NLI FMN 0.01865 0.41643 7.53968
98 2NLI LAC 0.02542 0.41386 7.53968
99 1DCP HBI 0.008743 0.40775 7.69231
100 5BW4 SAM 0.007365 0.4234 7.93651
101 1UM0 FMN 0.009514 0.42385 8.33333
102 1NVM NAD 0.02236 0.41222 8.33333
103 1JNR FAD 0.04924 0.42413 8.73016
104 5XVK SAH 0.02316 0.40466 8.73016
105 2GVC FAD 0.00735 0.44667 9.52381
106 3T2C 13P 0.0143 0.43147 10.3175
107 1NV8 MEQ 0.009308 0.43583 10.7143
108 1NV8 SAM 0.009817 0.43583 10.7143
109 5EYP GTP 0.002954 0.45752 11.1111
110 4LNU GTP 0.007278 0.43512 11.1111
111 5FJN FAD 0.03763 0.41375 11.1111
112 5FJN BE2 0.04122 0.41375 11.1111
113 3RYC GDP 0.01999 0.40435 11.1111
114 2XVM SAH 0.01834 0.40159 11.5578
115 2WPF FAD 0.04528 0.42935 11.9048
116 2WPF WPF 0.04885 0.42795 11.9048
117 2EC9 24X 0.02868 0.4134 11.9718
118 2GAG NAD 0.03804 0.40922 12.3016
119 4AKB GAL 0.005494 0.42052 12.782
120 5C2N NAG 0.008403 0.41279 14.5833
121 4FWE FAD 0.03113 0.41863 14.6825
122 1BZL FAD 0.005791 0.48782 15.4762
123 2DUR MAN MAN 0.0003167 0.46618 19.8413
124 5UWU GNP 0.03066 0.40917 20
125 4ZNO SUC 0.000043 0.47503 21.0317
126 5ITZ GTP 0.003489 0.45551 27.907
Pocket No.: 2; Query (leader) PDB : 1UKG; 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: 1ukg.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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