Receptor
PDB id Resolution Class Description Source Keywords
2HXW 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF PEB3 FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI PEB3 PERIPLASMIC BINDING PROTEIN N-GLYCOSYLATION STRUCTURAL GENOMICS MONTREAL-KINGSTON BACTERIAL STRUCTURALGENOMICS INITIATIVE BSGI
Ref.: STRUCTURAL CONTEXT FOR PROTEIN N-GLYCOSYLATION IN BACTERIA: THE STRUCTURE OF PEB3, AN ADHESIN FROM CAMPYLOBACTER JEJUNI. PROTEIN SCI. V. 16 990 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:301;
B:301;
Valid;
Valid;
none;
none;
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189.1 C6 H5 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HXW 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF PEB3 FROM CAMPYLOBACTER JEJUNI CAMPYLOBACTER JEJUNI PEB3 PERIPLASMIC BINDING PROTEIN N-GLYCOSYLATION STRUCTURAL GENOMICS MONTREAL-KINGSTON BACTERIAL STRUCTURALGENOMICS INITIATIVE BSGI
Ref.: STRUCTURAL CONTEXT FOR PROTEIN N-GLYCOSYLATION IN BACTERIA: THE STRUCTURE OF PEB3, AN ADHESIN FROM CAMPYLOBACTER JEJUNI. PROTEIN SCI. V. 16 990 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2HXW - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 2HXW - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 2HXW - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HXW; Ligand: FLC; 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: 2hxw.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HXW; Ligand: FLC; Similar sites found: 64
This union binding pocket(no: 2) in the query (biounit: 2hxw.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MB5 SAM 0.008395 0.43169 1.26582
2 1NW5 SAM 0.01571 0.41265 1.68776
3 1NVV GNP 0.009654 0.43156 2.1097
4 1NVU GTP 0.01907 0.41601 2.1097
5 2D4V NAD 0.03395 0.40535 2.1097
6 1KGZ PRP 0.01464 0.40436 2.1097
7 1I9G SAM 0.007782 0.43008 2.53165
8 1WY7 SAH 0.02038 0.41009 2.89855
9 3KO8 NAD 0.01605 0.42759 3.37553
10 4PIO SAH 0.04282 0.40662 3.37553
11 4PIO AVI 0.041 0.40662 3.37553
12 1VG8 GNP 0.03339 0.40315 3.38164
13 1I1N SAH 0.005401 0.44769 3.9823
14 3ZQ6 ADP ALF 0.03841 0.40122 4.01235
15 1L3I SAH 0.006041 0.4437 4.16667
16 4HDQ GNP 0.007514 0.43726 4.21941
17 4HDO GNP 0.01253 0.42562 4.21941
18 4MOB COA 0.0146 0.42067 4.21941
19 2DPM SAM 0.01944 0.41116 4.21941
20 4GLL NAD 0.03254 0.41101 4.21941
21 4KVG GTP 0.02405 0.4093 4.21941
22 1Q0S SAH 0.02135 0.41202 4.64135
23 2B4G FMN 0.03669 0.40228 4.64135
24 1OFD AKG 0.04992 0.40194 4.64135
25 1RO7 CSF 0.03647 0.40111 4.64135
26 1OIX GDP 0.02356 0.40977 4.71204
27 1G60 SAM 0.01923 0.40813 5.06329
28 4LX0 BEF GDP 0.02816 0.40708 5.08475
29 3DCM SAM 0.02188 0.40524 5.20833
30 3QVP FAD 0.03262 0.42137 5.48523
31 1FL2 FAD 0.01696 0.43358 5.80645
32 2Q4W FAD 0.0252 0.41919 5.90717
33 4I8P NAD 0.04374 0.40508 5.90717
34 5SZH GNP 0.03248 0.40379 5.91133
35 3WYG GTP 0.02897 0.40775 6.04396
36 5LPG 71V 0.002646 0.4239 6.09756
37 1VPE ANP 0.009273 0.42944 6.32911
38 1R18 SAH 0.01441 0.41791 6.60793
39 3GJX GTP 0.02484 0.40995 6.75105
40 4RZ3 ADP 0.0211 0.4025 6.75105
41 3NKV GNP 0.0294 0.40023 6.85714
42 2BME GNP 0.03273 0.40082 6.98925
43 2PWY SAH 0.006197 0.43854 7.173
44 3NZW BOC TY5 ALA RE0 ABN 0.0221 0.40977 7.87402
45 1E96 GTP 0.01372 0.4221 8.86699
46 2C5L GTP 0.0227 0.41202 9.24856
47 3HRD MCN 0.02038 0.4242 9.2827
48 3HRD FAD 0.03337 0.41914 9.2827
49 3C6K SPD 0.0439 0.408 9.70464
50 3C6K MTA 0.0439 0.408 9.70464
51 3PT9 SAH 0.0144 0.41281 10.1266
52 1P9P SAH 0.002155 0.46057 10.3448
53 4K81 GTP 0.01125 0.42807 10.9705
54 5WDR GNP 0.02021 0.41468 11.1111
55 3M1I GTP 0.01224 0.42614 11.3924
56 1UWK NAD 0.03898 0.41863 11.3924
57 1UWK URO 0.03898 0.41863 11.3924
58 3RLF ANP 0.02613 0.40446 11.3924
59 3RNM FAD 0.04919 0.41135 13.7931
60 2RAB FAD 0.0395 0.41752 16.0338
61 4HSU FAD 0.0439 0.41494 16.129
62 4GUT FAD 0.04828 0.41413 16.129
63 5UWT GNP 0.01039 0.42988 18.8811
64 5UWI GNP 0.01479 0.42182 18.8811
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