Receptor
PDB id Resolution Class Description Source Keywords
5AVF 1.95 Å NON-ENZYME: SIGNAL_HORMONE THE LIGAND BINDING DOMAIN OF MLP37 WITH TAURINE VIBRIO CHOLERAE CHEMORECEPTOR LIGAND COMPLEX MCP-LIKE PROTEIN PAS-LIKE DOSIGNALING PROTEIN
Ref.: IDENTIFICATION OF A VIBRIO CHOLERAE CHEMORECEPTOR T SENSES TAURINE AND AMINO ACIDS AS ATTRACTANTS SCI REP V. 6 20866 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TAU A:501;
B:501;
Valid;
Valid;
none;
none;
Kd = 3.2 uM
125.147 C2 H7 N O3 S C(CS(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AVF 1.95 Å NON-ENZYME: SIGNAL_HORMONE THE LIGAND BINDING DOMAIN OF MLP37 WITH TAURINE VIBRIO CHOLERAE CHEMORECEPTOR LIGAND COMPLEX MCP-LIKE PROTEIN PAS-LIKE DOSIGNALING PROTEIN
Ref.: IDENTIFICATION OF A VIBRIO CHOLERAE CHEMORECEPTOR T SENSES TAURINE AND AMINO ACIDS AS ATTRACTANTS SCI REP V. 6 20866 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5AVF Kd = 3.2 uM TAU C2 H7 N O3 S C(CS(=O)(=....
2 5AVE Kd = 3.6 uM SER C3 H7 N O3 C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 5AVF Kd = 3.2 uM TAU C2 H7 N O3 S C(CS(=O)(=....
2 5AVE Kd = 3.6 uM SER C3 H7 N O3 C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 5AVF Kd = 3.2 uM TAU C2 H7 N O3 S C(CS(=O)(=....
2 5AVE Kd = 3.6 uM SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TAU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 TAU 1 1
2 A20 0.631579 0.883721
3 9SB 0.473684 0.697674
4 COM 0.473684 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AVF; Ligand: TAU; Similar sites found: 82
This union binding pocket(no: 1) in the query (biounit: 5avf.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DGY 2GP 0.007883 0.41471 None
2 4MN7 SME 0.009866 0.40586 None
3 4Q0L V14 0.02793 0.40181 0.77821
4 1S7G APR 0.03539 0.40618 1.58103
5 1JXZ BCA 0.003256 0.45396 1.94553
6 1TD2 PXL 0.001034 0.44534 1.94553
7 2PZI AXX 0.004688 0.408 2.72374
8 5UR1 YY9 0.04676 0.40634 2.72374
9 3O75 F1X 0.01446 0.40237 2.72374
10 1LBF 137 0.02814 0.40436 2.83401
11 3WMX THR 0.01492 0.41493 3.11284
12 3F7Z 34O 0.01352 0.40785 3.11284
13 3ZRM ZRM 0.01373 0.40751 3.11284
14 5W2I ADP 0.02573 0.4022 3.11284
15 5W2I I3P 0.02573 0.4022 3.11284
16 2BJU IH4 0.00421 0.44822 3.50195
17 1EZ0 NAP 0.01842 0.41889 3.50195
18 3BY9 SIN 0.003713 0.41102 3.50195
19 2DX7 CIT 0.01019 0.40979 3.50877
20 1YQC GLV 0.00403 0.40604 3.52941
21 5BV3 M7G 0.009839 0.41659 3.89105
22 5LPZ ADP 0.009585 0.41523 3.89105
23 4I54 1C1 0.02485 0.41091 3.89105
24 2BNJ XYP XYP AHR FER 0.02742 0.40361 3.89105
25 3KMW ATP 0.01731 0.40059 3.89105
26 5BO9 SIA GAL NGS 0.03911 0.40387 4.02477
27 1SQL GUN 0.002774 0.40477 4.10959
28 1XTT U5P 0.006673 0.42093 4.16667
29 4CQK PIO 0.0133 0.4051 4.25532
30 5MW8 ATP 0.006164 0.43206 4.28016
31 3KDJ A8S 0.006987 0.42396 4.28016
32 4PZ6 GMP 0.001785 0.41098 4.28016
33 5HA0 LTD 0.01505 0.417 4.48718
34 4EN4 GT0 0.03313 0.41173 4.48718
35 4EN4 GT1 0.03313 0.41173 4.48718
36 4EN4 ATP 0.03313 0.41173 4.48718
37 4INI AMP 0.0005339 0.47206 4.61538
38 5I2E 67D 0.006332 0.45683 4.65116
39 2Q4H AMP 0.006784 0.43615 4.66926
40 5AX9 4KT 0.01025 0.41379 4.66926
41 1DNP FAD 0.03096 0.4022 4.66926
42 1AV5 AP2 0.002939 0.41039 4.7619
43 3UDZ ADP 0.004974 0.43128 5.05837
44 1J0D 5PA 0.01851 0.41376 5.05837
45 3PE2 E1B 0.04573 0.40936 5.05837
46 1GP6 QUE 0.02202 0.40851 5.05837
47 1GP6 DH2 0.0224 0.40673 5.05837
48 1GP6 SIN 0.0224 0.40673 5.05837
49 3SRV S19 0.0129 0.4048 5.05837
50 4U44 3D9 0.006802 0.42258 5.44747
51 4MLN ODV 0.006301 0.40841 5.61225
52 4O4F ATP 0.02643 0.40305 5.64516
53 4O4F IHP 0.02811 0.40305 5.64516
54 3KV8 FAH 0.01876 0.4402 5.7554
55 5MY8 RXZ 0.01406 0.41706 5.83658
56 5IH9 6BF 0.03522 0.40734 5.83658
57 4DHY S41 0.01191 0.42074 6.61479
58 2Q2V NAD 0.0378 0.40466 6.66667
59 3KCC CMP 0.01491 0.40761 7.00389
60 2AQX ATP 0.02102 0.40357 7.00389
61 1UNQ 4IP 0.01403 0.40354 7.2
62 5ETR APC 0.02232 0.41891 7.45342
63 5ETR 5RW 0.02232 0.41891 7.45342
64 4QMN DB8 0.01377 0.42893 7.7821
65 4NZ4 NDG 0.005183 0.44066 8.56031
66 3W0O ADP 0.02545 0.40916 8.56031
67 3W0O HY0 0.02545 0.40916 8.56031
68 3HBN UDP 0.01904 0.40048 8.56031
69 4N9I PCG 0.04633 0.40906 8.57143
70 2PUL ACP 0.001397 0.45415 9.72763
71 4NTC FAD 0.03988 0.41096 12.0623
72 4QJP V1F 0.02714 0.40245 12.0623
73 5C79 PBU 0.01096 0.40692 13.3333
74 3X01 AMP 0.0009862 0.46048 15.5642
75 1TE2 PGA 0.0132 0.40258 15.9292
76 4G17 0VN 0.004439 0.42737 16.7315
77 4JGP PYR 0.00005389 0.48852 19.3548
78 3N1S 5GP 0.0007455 0.4624 20.1681
79 1NBU PH2 0.007052 0.4153 24.3697
80 4XBA 5GP 0.002922 0.4362 24.5
81 4XBA GMP 0.002781 0.43482 24.5
82 4XT2 43L 0.01046 0.42207 27.2727
Pocket No.: 2; Query (leader) PDB : 5AVF; Ligand: TAU; 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: 5avf.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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