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Receptor
PDB id Resolution Class Description Source Keywords
4WQQ 1.7 Å NON-ENZYME: BINDING STRUCTURE OF EPNH MUTANT OF CEL-I CUCUMARIA ECHINATA CEL-I EPNH MUNANT C-TYPE LECTIN MANNOSE RECOGNITION SUGAPROTEIN
Ref.: MANNOSE-RECOGNITION MUTANT OF THE GALACTOSE/N-ACETYLGALACTOSAMINE-SPECIFIC C-TYPE LEC ENGINEERED BY SITE-DIRECTED MUTAGENESIS. BIOCHIM.BIOPHYS.ACTA V.1850 1457 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA C:202;
B:201;
D:201;
A:203;
D:202;
D:203;
C:201;
B:202;
B:203;
A:202;
C:203;
A:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN D:204;
B:204;
A:204;
C:204;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ka = 3170 M^-1
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WQQ 1.7 Å NON-ENZYME: BINDING STRUCTURE OF EPNH MUTANT OF CEL-I CUCUMARIA ECHINATA CEL-I EPNH MUNANT C-TYPE LECTIN MANNOSE RECOGNITION SUGAPROTEIN
Ref.: MANNOSE-RECOGNITION MUTANT OF THE GALACTOSE/N-ACETYLGALACTOSAMINE-SPECIFIC C-TYPE LEC ENGINEERED BY SITE-DIRECTED MUTAGENESIS. BIOCHIM.BIOPHYS.ACTA V.1850 1457 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1WMZ - NGA C8 H15 N O6 CC(=O)N[C@....
2 4WQQ Ka = 3170 M^-1 MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1WMZ - NGA C8 H15 N O6 CC(=O)N[C@....
2 4WQQ Ka = 3170 M^-1 MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1WMZ - NGA C8 H15 N O6 CC(=O)N[C@....
2 4WQQ Ka = 3170 M^-1 MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WQQ; Ligand: MAN; Similar sites found with APoc: 102
This union binding pocket(no: 1) in the query (biounit: 4wqq.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5ETR APC None
2 5ETR 5RW None
3 4G9N NGA None
4 3DER ALA LYS 1.41844
5 4LJ3 C2E 1.41844
6 4GAH 0ET 1.41844
7 4RGQ 13P 2.12766
8 3C56 PH4 2.12766
9 5B19 TLA 2.12766
10 1P19 IMP 2.12766
11 1VYF OLA 2.22222
12 4JAW NGT GAL 3.5461
13 2QX0 APC 3.5461
14 4JAW GAL NGT 3.5461
15 3AHC TPP 3.5461
16 1GSA ADP 3.5461
17 1I00 D16 3.5461
18 2ZBA COA 3.5461
19 1CQ1 PQQ 3.5461
20 1CQ1 BGC 3.5461
21 1W2D 4IP 3.5461
22 1W2D ADP 3.5461
23 1ICP FMN 3.5461
24 5ZFJ 9BF 4.25532
25 4EIL UMP 4.25532
26 2WZG UPG 4.25532
27 4KXV TDP DX5 4.25532
28 5U83 ZN8 4.25532
29 2HK9 SKM 4.25532
30 3KAP FMN 4.25532
31 4BPS 3EB 4.25532
32 1F28 UMP 4.96454
33 1ZPR UMP 4.96454
34 4ISK UMP 4.96454
35 3VHE 42Q 4.96454
36 2A9W UMP 4.96454
37 4ZCC NAI 4.96454
38 5BVE 4VG 4.96454
39 1NCE UMP 4.96454
40 2IDO TMP 4.96454
41 1PZM 5GP 4.96454
42 1VYP TNF 4.96454
43 1HV9 COA 4.96454
44 1FAO 4IP 5.55556
45 1COY AND 5.67376
46 4RSE A6V 5.67376
47 5Y72 DST 5.67376
48 4IE6 UN9 5.67376
49 1BGQ RDC 5.67376
50 1DDU DDU 6.38298
51 1SYN UMP 6.38298
52 1JG0 UMP 6.38298
53 1TLC DGP 6.38298
54 6CDZ UMC 6.38298
55 1AXW UMP 6.38298
56 1AIQ UMP 6.38298
57 4C2V YJA 6.38298
58 1TSD UMP 6.38298
59 6CDZ UMP 6.38298
60 1TMM HHR 6.38298
61 1TMM APC 6.38298
62 1TDU DUR 6.38298
63 1B5E DCM 6.38298
64 2AAZ UMP 7.0922
65 3AI7 TPP 7.0922
66 6AR9 3L4 7.0922
67 5Y6Q MCN 7.0922
68 4AG8 AXI 7.80142
69 3OZG SSI 7.80142
70 2QV6 GTP 7.80142
71 5C79 PBU 8
72 3NEM AMO 8.51064
73 1LO8 4CA 8.51064
74 1BZY IMU 8.51064
75 4LXQ FON 9.21986
76 4LXQ TYD 9.21986
77 6APV 3L4 9.21986
78 4RHY 3QG 9.21986
79 4PXD 1AL 10.6383
80 1SDW IYT 10.6383
81 4LO2 GAL BGC 10.6383
82 3MEH THP 10.6383
83 1J3I UMP 11.3475
84 1CS4 FOK 11.3475
85 1CS4 101 11.3475
86 2GJ5 VD3 12.0567
87 4P5Z Q7M 12.0567
88 2R14 TXD 14.1844
89 5UUO GSH 14.1844
90 4CS4 ANP 17.7305
91 5TCI 79V 19.1489
92 5H3A UMP 19.8582
93 3PAK MAN 20.5674
94 1G1T SIA GAL MAG FUC 27.6596
95 1PWB GLC GLC 29.7872
96 1PWB GLC 29.7872
97 2GGX NPJ 29.7872
98 2BVD ISX 31.2057
99 4DN8 BMA 37.5887
100 5G6U YJM 39.0071
101 5KTI TRE 6X6 41.1348
102 5JQ1 ZPF 45.3901
Pocket No.: 2; Query (leader) PDB : 4WQQ; Ligand: MAN; Similar sites found with APoc: 58
This union binding pocket(no: 2) in the query (biounit: 4wqq.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1HGX 5GP None
2 2BYS LOB 1.41844
3 4KAX 4IP 2.83688
4 2R0D 4IP 2.83688
5 2EV9 SKM 2.83688
6 1FHX 4IP 3.10078
7 4I3V NAD 3.5461
8 1FO3 KIF 3.5461
9 5B6D C5P 3.5461
10 6FWH 5LD 3.5461
11 4AF0 IMP 3.5461
12 4P86 5GP 3.5461
13 4P83 U5P 3.5461
14 4OAG ADP 4.25532
15 5JFS 6K0 4.25532
16 6A9F 9BF 4.25532
17 2NZU BG6 4.25532
18 2Q4W FAD 4.25532
19 3ACC 5GP 4.25532
20 1UNQ 4IP 4.8
21 3NRR D16 4.96454
22 3NRR UMP 4.96454
23 2BOY BHO 4.96454
24 2B3D FAD 5.67376
25 1GAR U89 5.67376
26 1GT6 OLA 5.67376
27 4Z0G 5GP 5.67376
28 4Z87 5GP 5.67376
29 4JLS 3ZE 5.67376
30 2KCE D16 6.38298
31 1F4G TP4 6.38298
32 6B5G NAD 6.38298
33 2OFV 242 6.38298
34 1U08 PLP 6.38298
35 4ITH RCM 7.0922
36 3HQP OXL 7.80142
37 5HC8 ISY 7.80142
38 5HC8 PIS 7.80142
39 5HC8 61G 7.80142
40 3GFZ C2E 7.80142
41 1EWF PC1 7.80142
42 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 8.51064
43 5M1T C2E 8.51064
44 2FXU BID 9.21986
45 1YNH SUO 9.21986
46 2QE4 JJ3 9.21986
47 5ZZA LAB 9.21986
48 2MAS PIR 9.21986
49 4HVA 4HV 10.6383
50 1EC9 XYH 10.6383
51 4NJH SAM 11.3475
52 4NJH 2K8 11.3475
53 5MF5 C2E 11.3475
54 1UPR 4IP 13.0081
55 1Z42 FMN 15.6028
56 4CS4 AXZ 17.7305
57 5OCS FMN 19.8582
58 6EDK 1YA 21.9858
Pocket No.: 3; Query (leader) PDB : 4WQQ; Ligand: MAN; Similar sites found with APoc: 11
This union binding pocket(no: 3) in the query (biounit: 4wqq.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2JFN GLU None
2 1XA4 COA 3.5461
3 3F8D FAD 4.25532
4 2BW7 ECS 4.96454
5 1S4M LUM 4.96454
6 5U19 827 5.67376
7 5U19 SAH 5.67376
8 1FC4 AKB PLP 5.67376
9 5EYK 5U5 6.38298
10 5G1X ADP 9.52381
11 4OUJ LBT 12.766
Pocket No.: 4; Query (leader) PDB : 4WQQ; Ligand: MAN; Similar sites found with APoc: 9
This union binding pocket(no: 4) in the query (biounit: 4wqq.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3UWV 2PG 4.25532
2 4AUT FAD 4.96454
3 2FJK 13P 4.96454
4 4TXJ THM 4.96454
5 5W8E SXZ 6.38298
6 5ZW7 FAD 7.0922
7 6BQ6 TER 7.80142
8 2P2V CSF 10.6383
9 3H4L ANP 17.0213
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