Receptor
PDB id Resolution Class Description Source Keywords
5FS0 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PHENOL-RESPONSIVE SENSORY DOMAIN OF TRANSCRIPTION ACTIVATOR POXR WITH 2,4-DICHLOROPHENOL CUPRIAVIDUS NECATOR TRANSCRIPTION PHENOL DMPR ENHANCER-BINDING PROTEIN ACTIVATPASE FAMILY
Ref.: STRUCTURAL ANALYSIS OF THE PHENOL-RESPONSIVE SENSOR OF THE TRANSCRIPTION ACTIVATOR POXR STRUCTURE V. 624 24 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1210;
B:1209;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
5JC B:1210;
A:1209;
Valid;
Valid;
none;
none;
Kd = 0.6 uM
163.001 C6 H4 Cl2 O c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FS0 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE PHENOL-RESPONSIVE SENSORY DOMAIN OF TRANSCRIPTION ACTIVATOR POXR WITH 2,4-DICHLOROPHENOL CUPRIAVIDUS NECATOR TRANSCRIPTION PHENOL DMPR ENHANCER-BINDING PROTEIN ACTIVATPASE FAMILY
Ref.: STRUCTURAL ANALYSIS OF THE PHENOL-RESPONSIVE SENSOR OF THE TRANSCRIPTION ACTIVATOR POXR STRUCTURE V. 624 24 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 5FS0 Kd = 0.6 uM 5JC C6 H4 Cl2 O c1cc(c(cc1....
2 5FRY Kd = 4 uM ERH C8 H10 O Cc1cc(cc(c....
3 5KBE Kd = 0.46 uM IPH C6 H6 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5JC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 5JC 1 1
2 4CL 0.518519 0.809524
3 4ZC 0.411765 0.809524
4 CHB 0.4 0.772727
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FS0; Ligand: 5JC; Similar sites found: 97
This union binding pocket(no: 1) in the query (biounit: 5fs0.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5IXH OTP 0.01374 0.436 None
2 5HX8 66P 0.01417 0.41834 None
3 4RC8 STE 0.01633 0.41071 None
4 4CSV STI 0.02506 0.40127 None
5 5K53 STE 0.01741 0.40602 1.4218
6 1QY1 PRZ 0.00476 0.43596 1.72414
7 4GGZ BTN 0.003585 0.4295 1.73913
8 4BFM ANP 0.002426 0.4487 1.89573
9 3AQV TAK 0.009338 0.41579 1.89573
10 2CM4 RCL 0.01678 0.4085 2
11 3RI1 3RH 0.01216 0.4245 2.36967
12 3ORK AGS 0.01653 0.41347 2.36967
13 4PGK Y69 0.04163 0.40821 2.36967
14 4JR7 GNP 0.01522 0.40531 2.36967
15 2I0K FAD 0.0407 0.40499 2.36967
16 4EWH T77 0.03337 0.40052 2.36967
17 4OCJ NDG 0.01382 0.43098 2.8436
18 1SR9 KIV 0.001444 0.42513 2.8436
19 4OCV ANP 0.006791 0.42458 2.8436
20 3U6W KIV 0.001533 0.42409 2.8436
21 3RGA LSB 0.006681 0.42091 2.8436
22 3C0G 3AM 0.01573 0.40991 2.8436
23 5LXC 7AA 0.01616 0.40206 2.8436
24 3JRS A8S 0.0006878 0.47797 2.88462
25 5IXG OTP 0.02495 0.42457 2.95858
26 5A6N U7E 0.004917 0.43153 3.31754
27 4WB6 ATP 0.0123 0.42149 3.31754
28 4UX9 ANP 0.01707 0.40644 3.31754
29 5HCV 60R 0.02781 0.40048 3.31754
30 3GWN FAD 0.0204 0.40256 3.50877
31 4AUA 4AU 0.01148 0.40937 3.79147
32 4QGE 35O 0.0168 0.40123 3.79147
33 5LVP ATP 0.01376 0.40122 3.79147
34 1ZN7 PRP 0.0145 0.40821 3.88889
35 1ZN7 HSX 0.011 0.40358 3.88889
36 1ZN7 ADE 0.011 0.40358 3.88889
37 5OO5 UUA 0.004032 0.43165 4.03226
38 2YG2 FLC 0.01409 0.41846 4.06977
39 2YG2 S1P 0.01886 0.40427 4.06977
40 4OKZ 3E9 0.01346 0.41496 4.2654
41 5FBN 5WF 0.02551 0.41261 4.2654
42 4EUU BX7 0.02113 0.40944 4.2654
43 2BHZ MAL 0.03214 0.40732 4.2654
44 2QCS ANP 0.0273 0.40371 4.2654
45 4M73 M72 0.04755 0.40326 4.2654
46 4M73 SAH 0.04571 0.40325 4.2654
47 1XJD STU 0.02052 0.40069 4.2654
48 4WN5 MVC 0.01682 0.41006 4.34783
49 4YZN 4K5 0.01508 0.41246 4.73934
50 4FG8 ATP 0.01883 0.4043 4.73934
51 3EW2 BTN 0.007585 0.41135 5.18518
52 5UR1 YY9 0.02083 0.41492 5.21327
53 5TA6 79D 0.02901 0.40367 5.21327
54 2NVA PL2 0.02946 0.402 5.21327
55 2VZZ SCA 0.03743 0.4004 5.21327
56 4KBA 1QM 0.01392 0.42278 5.6872
57 5K52 OCD 0.009025 0.42204 5.6872
58 2PVN P63 0.02653 0.40698 5.6872
59 4X7Q 3YR 0.01398 0.40308 5.6872
60 3M2W L8I 0.01389 0.40103 5.6872
61 2HKA C3S 0.003946 0.43626 6.15385
62 2Z7R STU 0.004712 0.43618 6.16114
63 5LI1 ANP 0.005638 0.43228 6.16114
64 4OTH DRN 0.006177 0.43029 6.16114
65 3KFF XBT 0.006973 0.40508 6.17284
66 3KFF ZBT 0.006973 0.40508 6.17284
67 4BJ8 BTN 0.009357 0.41373 6.34921
68 4EKQ NPO 0.005875 0.42572 6.41711
69 2E3N 6CM 0.0278 0.41065 6.63507
70 4L1F FAD 0.03485 0.40654 6.63507
71 1WUB OTP 0.04916 0.406 6.63507
72 5F1X ATP 0.03829 0.40105 6.63507
73 4MNS 2AX 0.03997 0.41493 6.91824
74 1OLM VTQ 0.03364 0.40034 7.58294
75 4XBT FLC 0.01168 0.41099 7.74194
76 4XBT 3ZQ 0.01284 0.40897 7.74194
77 3T50 FMN 0.02007 0.40117 7.8125
78 1ZHX HC3 0.004555 0.44352 8.53081
79 5EXE 5SR 0.02823 0.40801 8.53081
80 5LWY OLA 0.006005 0.42722 9.00474
81 5BU3 4W9 0.02389 0.40076 9.23913
82 2V7O DRN 0.01141 0.40031 9.95261
83 4WNK 453 0.03367 0.40281 10.4265
84 3E85 BSU 0.04742 0.40425 10.7595
85 2QZT PLM 0.00831 0.43303 11.7117
86 1RP7 TZD 0.01053 0.42635 11.8483
87 2YAB AMP 0.003696 0.43767 12.3223
88 2AR6 NAG MAN 0.0144 0.40246 12.7962
89 2PHU MAN MAN MAN BMA MAN 0.01217 0.40147 12.7962
90 2PHT MAN MAN MAN BMA MAN 0.01253 0.40086 12.7962
91 1T3Q MCN 0.02975 0.41226 13.2701
92 5T8O 76Z 0.01868 0.40273 13.7441
93 3B99 U51 0.009116 0.40751 14.6919
94 3SLS ANP 0.01432 0.41197 17.0616
95 3LXN MI1 0.01859 0.40459 18.4834
96 4E1Z 0MX 0.01209 0.41731 18.9573
97 3HZT J60 0.01215 0.4015 22.7488
Pocket No.: 2; Query (leader) PDB : 5FS0; Ligand: 5JC; 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: 5fs0.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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