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Receptor
PDB id Resolution Class Description Source Keywords
4EXO 1.9 Å NON-ENZYME: OTHER REVISED, REREFINED CRYSTAL STRUCTURE OF PDB ENTRY 2QHK, METH ACCEPTING CHEMOTAXIS PROTEIN VIBRIO PARAHAEMOLYTICUS SIGNALING PROTEIN CHEMOTAXIS RECEPTOR PAS DOMAIN FOUR HELBUNDLE METHYL ACCEPTING CHEMOTAXIS RECEPTOR PERIPLASMIC D
Ref.: STRUCTURE AND PROPOSED MECHANISM FOR THE PH-SENSING HELICOBACTER PYLORI CHEMORECEPTOR TLPB. STRUCTURE V. 20 1177 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PYR A:201;
Valid;
none;
submit data
88.062 C3 H4 O3 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EXO 1.9 Å NON-ENZYME: OTHER REVISED, REREFINED CRYSTAL STRUCTURE OF PDB ENTRY 2QHK, METH ACCEPTING CHEMOTAXIS PROTEIN VIBRIO PARAHAEMOLYTICUS SIGNALING PROTEIN CHEMOTAXIS RECEPTOR PAS DOMAIN FOUR HELBUNDLE METHYL ACCEPTING CHEMOTAXIS RECEPTOR PERIPLASMIC D
Ref.: STRUCTURE AND PROPOSED MECHANISM FOR THE PH-SENSING HELICOBACTER PYLORI CHEMORECEPTOR TLPB. STRUCTURE V. 20 1177 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4EXO - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4EXO - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4EXO - PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EXO; Ligand: PYR; Similar sites found with APoc: 83
This union binding pocket(no: 1) in the query (biounit: 4exo.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1PA9 CSN None
2 5OWC AYZ None
3 1A8R GTP None
4 4BNU 9KQ None
5 2VHW NAI None
6 2XHK AKG None
7 5XWV NDP 1.36986
8 5XWV 8H6 1.36986
9 5G57 6M5 2.05479
10 5AVF TAU 2.05479
11 5UC1 486 2.73973
12 3FYP PEP 2.73973
13 1SR7 MOF 3.42466
14 4OAR 2S0 3.42466
15 5L7G 6QE 3.42466
16 4UDB CV7 3.42466
17 5ICK FEZ 3.42466
18 5MWY YNU 3.42466
19 1NHZ 486 3.42466
20 1NJF AGS 3.42466
21 6BYM HC3 3.42466
22 3KYQ DPV 4.0201
23 4B2Z P5S 4.10959
24 2QZZ NAP 4.10959
25 2QZZ EMF 4.10959
26 3V66 D3A 4.10959
27 5G5G MCN 4.10959
28 2E2R 2OH 4.10959
29 1U08 PLP 4.10959
30 3FS1 MYR 4.78261
31 4L9Z COA 4.79452
32 1PZG A3D 4.79452
33 3KAL HGS 4.79452
34 4YT5 H4M 4.79452
35 1TMX BEZ 4.79452
36 4O4K 2PK 4.79452
37 2J7T 274 4.79452
38 1RQ2 CIT 4.79452
39 4MGB XDH 5.47945
40 1UU1 PMP HSA 5.47945
41 3G5N PB2 5.47945
42 2FV5 541 5.47945
43 3JVH HHV 5.47945
44 3BGD SAH 6.16438
45 4OB6 S2T 6.84932
46 1ZZ7 S0H 6.84932
47 4Z1D PEP 6.84932
48 5E7V M7E 7.53425
49 5UFN SAH 7.53425
50 1ZOA 140 7.53425
51 3SSO SAH 7.53425
52 2R5N R5P 7.53425
53 2R5N TPP 7.53425
54 2R5N RP5 7.53425
55 1NQ7 ARL 8.21918
56 1N4H REA 8.21918
57 3L0E G58 8.21918
58 4NG2 OHN 8.21918
59 3KFC 61X 8.21918
60 2HU5 GLY PHE 8.21918
61 1XAP TTB 8.90411
62 4DM8 REA 8.90411
63 3LA3 2FT 8.90411
64 3FAL LO2 8.90411
65 3UYK 0CX 9.58904
66 4WVO 3UZ 10.274
67 3B99 U51 10.274
68 1LOX RS7 12.3288
69 4L6C 0BT 12.3288
70 2XKO AKG 13.4831
71 2P4Y C03 14.3836
72 2VAP GDP 14.3836
73 3G9E RO7 14.3836
74 1RDT L79 14.3836
75 2HFN FMN 15.7534
76 2WM4 VGJ 16.4384
77 4IHL 1F5 16.6667
78 3RDE OYP 17.1233
79 5IXK 6EW 19.863
80 4M52 M52 22.6027
81 2NX1 RP5 23.2877
82 5F1R 42O 27.3973
83 2ZYJ PGU 27.3973
Pocket No.: 2; Query (leader) PDB : 4EXO; Ligand: PYR; 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: 4exo.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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