Receptor
PDB id Resolution Class Description Source Keywords
2YFB 1.9 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF MCPS LIGAND BINDING DOMAIN IN COMPLEX WITH SUCCINATE PSEUDOMONAS PUTIDA CHEMORECEPTOR SIGNAL TRANSDUCTION RECEPTOR
Ref.: EVIDENCE FOR CHEMORECEPTORS WITH BIMODULAR LIGAND-B REGIONS HARBORING TWO SIGNAL-BINDING SITES. PROC.NATL.ACAD.SCI.USA V. 109 18926 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:501;
B:501;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SIN A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
116.072 C4 H6 O4 O=C([...
SO4 A:1278;
B:1278;
B:1279;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YFB 1.9 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF MCPS LIGAND BINDING DOMAIN IN COMPLEX WITH SUCCINATE PSEUDOMONAS PUTIDA CHEMORECEPTOR SIGNAL TRANSDUCTION RECEPTOR
Ref.: EVIDENCE FOR CHEMORECEPTORS WITH BIMODULAR LIGAND-B REGIONS HARBORING TWO SIGNAL-BINDING SITES. PROC.NATL.ACAD.SCI.USA V. 109 18926 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2YFB - SIN C4 H6 O4 O=C([O-])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 2YFB - SIN C4 H6 O4 O=C([O-])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 2YFB - SIN C4 H6 O4 O=C([O-])C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 MLI 0.5 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YFB; Ligand: SIN; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2yfb.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N8V KZZ 0.0243 0.40417 None
2 4CLI 5P8 0.04673 0.41059 1.16279
3 3OV6 MK0 0.01118 0.40554 1.16279
4 2VCX D26 0.01114 0.4425 1.50754
5 2VCX GSH 0.01114 0.4425 1.50754
6 1GHE ACO 0.01565 0.40732 1.69492
7 3QFU ADP 0.02444 0.41921 1.93798
8 4QOM PYG 0.02179 0.41571 1.93798
9 5FPE 3TR 0.0333 0.4051 1.93798
10 3HCN CHD 0.01635 0.43154 2.32558
11 4OMJ 2TX 0.007345 0.42621 2.32558
12 5JFS 6K0 0.02985 0.42282 2.32558
13 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.01564 0.40666 2.62295
14 5CUQ NSC 0.0109 0.43604 2.71318
15 4F4P 0SB 0.04004 0.42035 2.71318
16 5B0W 22B 0.01203 0.40151 3.10078
17 5UGW GSH 0.002106 0.43498 3.42857
18 3SVJ 4LI 0.04984 0.40284 3.44828
19 1FCH TYR GLN SER LYS LEU 0.004294 0.43893 3.48837
20 5TO8 7FM 0.02808 0.43294 3.48837
21 5AR0 GB8 0.01721 0.42575 3.48837
22 2Z77 NCA 0.01544 0.42058 3.59712
23 5B4B LP5 0.008985 0.40601 4.03226
24 4QGE 35O 0.000003268 0.5958 4.26357
25 5EP2 AZU 0.02112 0.40842 4.29688
26 5IF4 6AK 0.03219 0.40211 4.40252
27 2RH1 CAU 0.02038 0.41501 4.8
28 2RH1 CLR 0.04319 0.40533 4.8
29 2VWA PTY 0.001968 0.4007 4.9505
30 4ORM 2V6 0.01395 0.43667 5.03876
31 4ORM ORO 0.01395 0.43667 5.03876
32 4ORM FMN 0.01395 0.43667 5.03876
33 4NKW PLO 0.008351 0.42446 5.26316
34 3KRR DQX 0.02813 0.45413 5.42636
35 4ZOM 4Q3 0.01934 0.44419 5.81395
36 3O01 DXC 0.002977 0.44387 5.81395
37 4JNE ATP 0.004339 0.46197 6.20155
38 5C1M OLC 0.0074 0.41495 6.4
39 5BV6 35G 0.02602 0.40206 6.57895
40 3M6P BB2 0.01084 0.40973 6.73575
41 4BVM PLM 0.007471 0.41864 6.76692
42 3ANP DCC 0.0006277 0.47194 6.86275
43 4PW9 MSS 0.005139 0.41683 6.97674
44 4KIB SAH 0.02091 0.42001 7.36434
45 5L2J 70E 0.03127 0.4166 7.36434
46 5EKO N17 0.01846 0.40321 7.36434
47 2D5Z L35 0.04552 0.42142 7.53425
48 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.006285 0.43548 8.13953
49 4RW3 PLM 0.004816 0.4142 8.13953
50 1VJ7 GPX 0.002023 0.4049 8.13953
51 3WCA FPS 0.01616 0.40037 8.13953
52 4BKJ STI 0.01957 0.40005 8.13953
53 5EHR 5OD 0.0221 0.41707 8.52713
54 2O1V ADP 0.009941 0.4132 8.52713
55 5XNA SHV 0.007888 0.42724 8.69565
56 3BPX SAL 0.0006706 0.40606 8.78378
57 1X0P FAD 0.009567 0.41271 9.09091
58 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01959 0.42053 9.42029
59 5N7O 69Y 0.008549 0.40744 9.50226
60 4OYA 1VE 0.0104 0.41982 10.8527
61 5CSD ACD 0.0018 0.44735 15.7233
Pocket No.: 2; Query (leader) PDB : 2YFB; Ligand: SIN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2yfb.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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