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Receptor
PDB id Resolution Class Description Source Keywords
1UQX 1.7 Å NON-ENZYME: BINDING RALSTONIA SOLANACEARUM LECTIN (RS-IIL) IN COMPLEX WITH ALPHA METHYLMANNOSIDE RALSTONIA SOLANACEARUM LECTIN SUGAR-BINDING PROTEIN ALPHA-METHYL-MANNOSIDE SUGARPROTEIN
Ref.: A NEW RALSTONIA SOLANACEARUM HIGH-AFFINITY MANNOSE-LECTIN RS-IIL STRUCTURALLY RESEMBLING THE PSEUDOMON AERUGINOSA FUCOSE-SPECIFIC LECTIN PA-IIL MOL.MICROBIOL. V. 52 691 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1114;
A:1115;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MMA A:1116;
Valid;
none;
submit data
194.182 C7 H14 O6 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UQX 1.7 Å NON-ENZYME: BINDING RALSTONIA SOLANACEARUM LECTIN (RS-IIL) IN COMPLEX WITH ALPHA METHYLMANNOSIDE RALSTONIA SOLANACEARUM LECTIN SUGAR-BINDING PROTEIN ALPHA-METHYL-MANNOSIDE SUGARPROTEIN
Ref.: A NEW RALSTONIA SOLANACEARUM HIGH-AFFINITY MANNOSE-LECTIN RS-IIL STRUCTURALLY RESEMBLING THE PSEUDOMON AERUGINOSA FUCOSE-SPECIFIC LECTIN PA-IIL MOL.MICROBIOL. V. 52 691 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
28 2WR9 Kd = 2.6 uM MAN MAN n/a n/a
29 2VNV Kd = 2.75 uM MMA C7 H14 O6 CO[C@@H]1[....
30 2WRA Kd = 26.9 uM MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MMA; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA 1 1
2 GYP 1 1
3 AMG 1 1
4 MBG 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 M13 0.613636 0.914286
8 DR5 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 G1P 0.512195 0.674419
15 M1P 0.512195 0.674419
16 GL1 0.512195 0.674419
17 XGP 0.512195 0.674419
18 BQZ 0.5 0.878788
19 DEG 0.488889 0.837838
20 2M4 0.478261 0.857143
21 WZ1 0.470588 0.842105
22 MAG 0.468085 0.727273
23 EBQ 0.468085 0.861111
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 BGC SSG SSG SGC MA3 0.462963 0.842105
28 GLC SSG SGC SGC MA3 0.462963 0.842105
29 BGC SGC SGC GTM 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 GLC HEX 0.458333 0.775
33 JZR 0.458333 0.775
34 BHG 0.458333 0.775
35 SMD 0.45098 0.842105
36 2GS 0.45 1
37 B7G 0.44898 0.756098
38 KGM 0.44898 0.756098
39 LAT GLA 0.446809 0.857143
40 2M8 0.446809 0.882353
41 GTM BGC BGC 0.442623 0.842105
42 BNG 0.44 0.756098
43 GLC GLO 0.44 0.909091
44 BOG 0.44 0.756098
45 HSJ 0.44 0.756098
46 R1P 0.439024 0.6
47 GLA GAL 0.4375 0.857143
48 GLC GAL 0.4375 0.857143
49 BGC BMA 0.4375 0.857143
50 LBT 0.4375 0.857143
51 LAT 0.4375 0.857143
52 EBG 0.4375 0.810811
53 MAL 0.4375 0.857143
54 MAN GLC 0.4375 0.857143
55 56N 0.4375 0.805556
56 GLA GLA 0.4375 0.857143
57 LB2 0.4375 0.857143
58 N9S 0.4375 0.857143
59 NGR 0.4375 0.857143
60 CBI 0.4375 0.857143
61 GAL BGC 0.4375 0.857143
62 M3M 0.4375 0.857143
63 MAB 0.4375 0.857143
64 BMA GAL 0.4375 0.857143
65 CBK 0.4375 0.857143
66 BGC GAL 0.4375 0.857143
67 B2G 0.4375 0.857143
68 GAL FUC 0.431373 0.857143
69 MBG A2G 0.431034 0.680851
70 A2G MBG 0.431034 0.680851
71 GLA BGC 0.428571 0.857143
72 GLC GLC 0.428571 0.857143
73 BGC GLA 0.428571 0.857143
74 MAN BMA 0.428571 0.857143
75 BMA MAN 0.428571 0.857143
76 MAN MAN 0.428571 0.857143
77 GLA GLC 0.428571 0.857143
78 BMA GLA 0.428571 0.857143
79 BGC GLC 0.428571 0.857143
80 GLC BGC 0.428571 0.857143
81 LAK 0.428571 0.857143
82 GAL GAL 0.428571 0.857143
83 MLB 0.428571 0.857143
84 GLA BMA 0.428571 0.857143
85 GAL GLC 0.428571 0.857143
86 WZ2 0.42623 0.842105
87 GLA EGA 0.423077 0.861111
88 GAL PHB 0.423077 0.783784
89 T6P 0.42 0.666667
90 RZM 0.42 0.666667
91 BGC BGC SGC MGL 0.415385 0.842105
92 MGL SGC GLC GLC 0.415385 0.842105
93 MGL SGC BGC BGC 0.415385 0.842105
94 BMA IFM 0.415094 0.652174
95 MAN MAN BMA 0.415094 0.857143
96 VAM 0.415094 0.842105
97 IFM BMA 0.415094 0.652174
98 BMA BMA MAN 0.415094 0.857143
99 IFM BGC 0.415094 0.652174
100 NAG MBG 0.413793 0.680851
101 HNV 0.413793 0.842105
102 WZ3 0.412698 0.888889
103 GLC GLC GLC 0.411765 0.857143
104 DOM 0.411765 0.810811
105 SWE 0.411765 0.789474
106 MAN MAN MAN 0.411765 0.857143
107 BGC BGC 0.411765 0.833333
108 BMA BMA 0.411765 0.833333
109 MAN 7D1 0.411765 0.810811
110 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
111 BMA MAN MAN 0.411765 0.857143
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 XLM 0.407407 0.888889
117 DMJ MAN 0.407407 0.638298
118 NOJ BGC 0.407407 0.638298
119 GLC DMJ 0.407407 0.638298
120 3X8 0.407407 0.763158
121 FK9 0.407407 0.756098
122 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
123 MTT 0.403846 0.857143
124 MT7 0.403846 0.857143
125 GLC BGC BGC BGC BGC 0.403846 0.857143
126 MLR 0.403846 0.857143
127 GLC BGC BGC BGC 0.403846 0.857143
128 BGC BGC BGC GLC 0.403846 0.857143
129 BGC BGC BGC BGC BGC 0.403846 0.857143
130 GLA GAL BGC 0.403846 0.857143
131 SER MAN 0.403846 0.697674
132 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
133 CEX 0.403846 0.857143
134 CE6 0.403846 0.857143
135 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
136 BMA BMA BMA 0.403846 0.857143
137 GLC GLC GLC GLC GLC 0.403846 0.857143
138 CTR 0.403846 0.857143
139 BMA MAN BMA 0.403846 0.857143
140 GLC GAL GAL 0.403846 0.857143
141 CE5 0.403846 0.857143
142 U63 0.403846 0.769231
143 BGC BGC BGC 0.403846 0.857143
144 CT3 0.403846 0.857143
145 GLA GAL GLC 0.403846 0.857143
146 DXI 0.403846 0.857143
147 BGC GLC GLC GLC 0.403846 0.857143
148 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
149 GLC BGC GLC 0.403846 0.857143
150 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
152 BGC GLC GLC GLC GLC 0.403846 0.857143
153 BGC BGC BGC BGC 0.403846 0.857143
154 CE8 0.403846 0.857143
155 CEY 0.403846 0.857143
156 MAN BMA BMA BMA BMA 0.403846 0.857143
157 BGC GLC GLC 0.403846 0.857143
158 BGC BGC GLC 0.403846 0.857143
159 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
160 CTT 0.403846 0.857143
161 GLC GLC BGC 0.403846 0.857143
162 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
163 GLC BGC BGC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 B4G 0.403846 0.857143
166 BMA BMA BMA BMA BMA 0.403846 0.857143
167 GAL GAL GAL 0.403846 0.857143
168 GLC 7LQ 0.4 0.857143
169 IFM MAN 0.4 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UQX; Ligand: MMA; Similar sites found with APoc: 71
This union binding pocket(no: 1) in the query (biounit: 1uqx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1NJR XYL None
2 1SQL GUN None
3 1TE2 PGA None
4 1QZR CDX None
5 1QZR ANP None
6 5IDM ANP None
7 3FUU ADN None
8 4ELG 52J None
9 4XTX 590 None
10 1JQ3 AAT None
11 3RKR NAP None
12 1P19 IMP None
13 2WYV NAD None
14 6APV 3L4 None
15 4IF4 BEF 2.65487
16 4EIL FOL 2.65487
17 4EIL NDP 2.65487
18 3VPD ANP 3.53982
19 3A5Z KAA 3.53982
20 2PT9 S4M 3.53982
21 4ZUL UN1 4.42478
22 3FGZ BEF 4.42478
23 1T3D CYS 4.42478
24 1QAN SAH 4.42478
25 1BXG NAD 4.42478
26 2IZ1 ATR 4.42478
27 5AHO TLA 5.30973
28 1B63 ANP 5.30973
29 5ZCM NDP DTT 6.19469
30 4YRY FAD 6.19469
31 2NZ2 ASP 6.19469
32 4GCZ ADP 6.19469
33 3E9I XAH 6.19469
34 1PJS NAD 6.19469
35 1EBF NAD 6.19469
36 3V91 UPG 6.19469
37 1RZM E4P 6.19469
38 4J4H 1J1 7.07965
39 4J4H NAI 7.07965
40 4JK3 NAD 7.07965
41 5N5S NAP 7.07965
42 6F3N ADN 7.9646
43 2ZKJ ADP 7.9646
44 6F3N NAD 7.9646
45 6F3M NAD 7.9646
46 3OID NDP 7.9646
47 3NCQ ATP 8.84956
48 4XDA ADP 8.84956
49 4XDA RIB 8.84956
50 1S7G APR 8.84956
51 6DVH FMN 8.84956
52 1JT2 FER 8.84956
53 1UMG 2FP 9.73451
54 4W6Z 8ID 9.73451
55 1VPE ANP 9.73451
56 2A14 SAH 9.73451
57 1ZXM ANP 10.6195
58 5TOW ADN 10.6195
59 5TOW NAI 10.6195
60 1NPD NAD 10.6195
61 2Q16 ITT 10.6195
62 4A3X LAT 11.5044
63 4OCJ NDG 13.2743
64 6EGU 43Y 14.1593
65 3DNT ATP 15.9292
66 3NJ4 NAD 16.8142
67 4X1Z FUC GAL NDG 16.8142
68 1GKZ ADP 17.6991
69 6BQ6 TER 19.469
70 5J6Y GLC 20.354
71 5J6Y BGC 20.354
Pocket No.: 2; Query (leader) PDB : 1UQX; Ligand: MMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1uqx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UQX; Ligand: MMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1uqx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UQX; Ligand: MMA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1uqx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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