Receptor
PDB id Resolution Class Description Source Keywords
2WQ4 1.42 Å NON-ENZYME: BINDING N-TERMINAL DOMAIN OF BC2L-C LECTIN FROM BURKHOLDERIA CENOCEP BURKHOLDERIA CENOCEPACIA LUNG PATHOGEN INFECTION SUGAR BINDING PROTEIN
Ref.: A TNF-LIKE TRIMERIC LECTIN DOMAIN FROM BURKHOLDERIA CENOCEPACIA WITH SPECIFICITY FOR FUCOSYLATED HUMAN HISTO-BLOOD GROUP ANTIGENS STRUCTURE V. 18 59 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BR A:300;
Invalid;
none;
submit data
79.904 Br [Br-]
SFU A:200;
B:200;
C:200;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
241.144 C7 H14 O4 Se C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WQ4 1.42 Å NON-ENZYME: BINDING N-TERMINAL DOMAIN OF BC2L-C LECTIN FROM BURKHOLDERIA CENOCEP BURKHOLDERIA CENOCEPACIA LUNG PATHOGEN INFECTION SUGAR BINDING PROTEIN
Ref.: A TNF-LIKE TRIMERIC LECTIN DOMAIN FROM BURKHOLDERIA CENOCEPACIA WITH SPECIFICITY FOR FUCOSYLATED HUMAN HISTO-BLOOD GROUP ANTIGENS STRUCTURE V. 18 59 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2WQ4 - SFU C7 H14 O4 Se C[C@H]1[C@....
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 2WQ4 - SFU C7 H14 O4 Se C[C@H]1[C@....
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 2WQ4 - SFU C7 H14 O4 Se C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TFU 1 1
2 SFU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WQ4; Ligand: SFU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2wq4.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WQ4; Ligand: SFU; Similar sites found: 77
This union binding pocket(no: 2) in the query (biounit: 2wq4.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K4D HFQ 0.01939 0.40123 None
2 1UKW FAD 0.01002 0.4046 1.28205
3 1LTH NAD 0.01138 0.43959 2.5641
4 1EXF GLY 0.00216 0.41117 2.5641
5 3MWS 017 0.03162 0.40609 2.5641
6 3F6R FMN 0.02311 0.4058 2.5641
7 2JDC CAO 0.03719 0.40043 2.5641
8 2CYE COA 0.00988 0.41844 3.00752
9 3H4T UDP 0.008358 0.43087 3.20513
10 1UXG NAD 0.02317 0.43028 3.20513
11 2Q0D ATP 0.01258 0.42834 3.20513
12 1DIG NAP 0.03403 0.41715 3.20513
13 1DIG L37 0.03539 0.41715 3.20513
14 3CR3 ADP 0.02188 0.41066 3.20513
15 2A92 NAI 0.006347 0.46288 3.84615
16 1NY5 ADP 0.005708 0.43682 3.84615
17 2GC0 PAN 0.001291 0.43487 3.84615
18 3OTH CLJ 0.01219 0.42966 3.84615
19 3Q9T FAY 0.008419 0.42134 3.84615
20 3PFD FDA 0.007539 0.41707 3.84615
21 1PZG A3D 0.02996 0.40836 3.84615
22 1KYQ NAD 0.02277 0.40779 3.84615
23 1QFY NAP 0.02282 0.40657 3.84615
24 1QFY FAD 0.02282 0.40657 3.84615
25 5W4W 9WG 0.03989 0.40555 3.84615
26 3TWO NDP 0.04785 0.4047 3.84615
27 4R33 SAH 0.0366 0.40304 3.84615
28 4R33 TRP 0.0366 0.40304 3.84615
29 1MV8 NAD 0.007724 0.45534 4.48718
30 1MUU NAD 0.009684 0.44199 4.48718
31 2NPX FAD 0.03621 0.42183 4.48718
32 1KZL CRM 0.01002 0.41232 4.48718
33 1BAI 0Q4 0.01251 0.4329 5.12821
34 3CQD ATP 0.01149 0.42892 5.12821
35 1G0H IPD 0.007136 0.42533 5.12821
36 3D91 REM 0.03509 0.41636 5.12821
37 3SFV GDP 0.01767 0.40524 5.12821
38 2QZ3 XYP XYP XYP 0.01241 0.40265 5.12821
39 4Z3X MTE 0.0374 0.40245 5.12821
40 4Z3X 4KX 0.03901 0.40245 5.12821
41 1J3R 6PG 0.000542 0.45681 5.76923
42 3GGU 017 0.01918 0.41976 5.76923
43 1TKB N1T 0.04773 0.4064 5.76923
44 3GGO ENO 0.02808 0.40575 5.76923
45 3GGO NAI 0.02808 0.40575 5.76923
46 3QVV A3P 0.03031 0.40044 5.76923
47 3PNL ADP 0.01272 0.41769 6.41026
48 1UBY DMA 0.007132 0.42223 7.05128
49 4OLT GCS GCS GCS GCS GCS GCS 0.04571 0.40877 7.05128
50 1LK7 DER 0.0152 0.40457 7.05128
51 3C5E ATP 0.03342 0.40347 7.05128
52 4EPL JAI 0.001168 0.47918 7.69231
53 4HA6 FAD 0.009704 0.42883 7.69231
54 2CVQ NDP 0.02881 0.41259 7.69231
55 1H6C SIN 0.03404 0.4207 8.33333
56 3H0L ADP 0.01144 0.4004 8.33333
57 3KTA AP5 0.02194 0.40369 9.61539
58 4Q0L V14 0.01771 0.40022 9.61539
59 3I8P 840 0.01196 0.41884 10.2564
60 3VGL ANP 0.01053 0.4067 11.5385
61 5FAG PPI 0.005565 0.44203 12.1795
62 5TV6 PML 0.00492 0.42844 12.8205
63 1YQD NAP 0.02714 0.41756 12.8205
64 5BZ4 COA 0.01977 0.40849 14.1026
65 3HY3 10F 0.02253 0.40815 14.1026
66 1SOX MTE 0.004913 0.4278 14.7436
67 1M7G AV2 0.04659 0.41892 14.7436
68 2A9D MTE 0.006874 0.41497 14.7436
69 2BII MTV 0.009756 0.41005 14.7436
70 4D42 W0I 0.03338 0.41077 16.0256
71 4D42 NAP 0.03338 0.41077 16.0256
72 1KBI PYR 0.01251 0.40764 16.6667
73 4PTZ FMN 0.01314 0.41424 16.7539
74 3CRZ NAP 0.04522 0.41029 17.3077
75 1OVD FMN 0.0207 0.41244 26.9231
76 1OVD ORO 0.0207 0.41244 26.9231
77 3CL7 HYN 0.009591 0.42034 28.2051
Pocket No.: 3; Query (leader) PDB : 2WQ4; Ligand: SFU; 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: 2wq4.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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