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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 291 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 247 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 209 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 with APoc: 165
This union binding pocket(no: 1) in the query (biounit: 5fs0.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5IXH OTP None
2 5WO4 B7V None
3 4O4Z N2O None
4 4RC8 STE None
5 1JR8 FAD None
6 4CSV STI None
7 5Y02 HBX None
8 3A4V PYR 0.947867
9 3A4V NAD 0.947867
10 5YF9 NIO 1.4218
11 2ATJ BHO 1.4218
12 5K53 STE 1.4218
13 1MZV AMP 1.4218
14 4IF4 BEF 1.44231
15 1QY1 PRZ 1.72414
16 4GGZ BTN 1.73913
17 2OMN IPH 1.89573
18 4BFM ANP 1.89573
19 3AQV TAK 1.89573
20 6FL8 TIY 1.89573
21 6FL8 ADP 1.89573
22 2CM4 RCL 2
23 5UGW GSH 2.28571
24 3ORK AGS 2.36967
25 4PGK Y69 2.36967
26 4JR7 GNP 2.36967
27 2I0K FAD 2.36967
28 3RI1 3RH 2.36967
29 4FFG LBS 2.36967
30 4EWH T77 2.36967
31 3U6W KIV 2.8436
32 4Y9J UCC 2.8436
33 4OCJ NDG 2.8436
34 1SR9 KIV 2.8436
35 4OCV ANP 2.8436
36 4O1Z MXM 2.8436
37 3RGA LSB 2.8436
38 3C0G 3AM 2.8436
39 3JRS A8S 2.88462
40 5IXG OTP 2.95858
41 4B1L FRU 3.0303
42 2YGO PCF 3.19149
43 2HJ3 FAD 3.2
44 5UR6 8KM 3.31492
45 5A6N U7E 3.31754
46 4WB6 ATP 3.31754
47 4UX9 ANP 3.31754
48 4QCK ASD 3.31754
49 1EWF PC1 3.31754
50 5HCV 60R 3.31754
51 1NWW HPN 3.3557
52 2ET1 GLV 3.48259
53 3GWN FAD 3.50877
54 5OMY 9YE 3.79147
55 4AUA 4AU 3.79147
56 5UC1 486 3.79147
57 4QGE 35O 3.79147
58 5LVP ATP 3.79147
59 5XVG 8FX 3.79147
60 2YGN PCF 3.84615
61 6FCH PRP 3.93258
62 5OO5 UUA 4.03226
63 2YG2 FLC 4.06977
64 2YG2 S1P 4.06977
65 3RSR N5P 4.2654
66 4OKZ 3E9 4.2654
67 3F70 MLZ 4.2654
68 4EUU BX7 4.2654
69 2BHZ MAL 4.2654
70 2WQN ADP 4.2654
71 4XWM CBI 4.2654
72 2QCS ANP 4.2654
73 4M73 SAH 4.2654
74 4M73 M72 4.2654
75 1XJD STU 4.2654
76 4WN5 MVC 4.34783
77 4YZN 4K5 4.73934
78 4FG8 ATP 4.73934
79 6CI9 F3V 4.73934
80 3EW2 BTN 5.18518
81 4JN6 OXL 5.21327
82 4FC7 NAP 5.21327
83 4FC7 COA 5.21327
84 5TA6 79D 5.21327
85 2VZZ SCA 5.21327
86 2NVA PL2 5.21327
87 5M36 9SZ 5.6872
88 4KBA 1QM 5.6872
89 5K52 OCD 5.6872
90 2OCI TYC 5.6872
91 6GSZ BGC 5.6872
92 2PVN P63 5.6872
93 5W4W 9WG 5.6872
94 4X7Q 3YR 5.6872
95 2NYA MGD 5.6872
96 3M2W L8I 5.6872
97 5EYY MDM 5.6872
98 3KV8 FAH 5.7554
99 2HKA C3S 6.15385
100 3B9Z CO2 6.16114
101 5LI9 ACP 6.16114
102 2Z7R STU 6.16114
103 5LI1 ANP 6.16114
104 4OTH DRN 6.16114
105 6CGN DA 6.16114
106 3KFF XBT 6.17284
107 3KFF ZBT 6.17284
108 4BJ8 BTN 6.34921
109 4EKQ NPO 6.41711
110 2R5T ANP 6.63507
111 2E3N 6CM 6.63507
112 4L1F FAD 6.63507
113 1WUB OTP 6.63507
114 4WGF HX2 6.82927
115 4MNS 2AX 6.91824
116 4RF2 NAP 6.98529
117 4N70 2HX 7.109
118 2VYT MLZ 7.109
119 3PG7 PTY 7.109
120 4WB7 ATP 7.109
121 6GU6 1QK 7.14286
122 3AY6 NAI 7.58294
123 1OLM VTQ 7.58294
124 3T50 FMN 7.8125
125 1Y0G 8PP 7.8534
126 5FWE OGA 8.05687
127 1ZHX HC3 8.53081
128 5EXE 5SR 8.53081
129 5LX9 OLA 9.00474
130 5LWY OLA 9.00474
131 5LX9 OLB 9.00474
132 1NVM OXL 9.00474
133 3B1J NAD 9.00474
134 5BU3 4W9 9.23913
135 5Z84 CHD 9.58904
136 5ZCO CHD 9.58904
137 5Z84 TGL 9.58904
138 2DYR TGL 9.58904
139 5ZCO TGL 9.58904
140 2DYS TGL 9.58904
141 6C6O ENG 9.95261
142 4LOC OXM 9.95261
143 3V8S 0HD 9.95261
144 2V7O DRN 9.95261
145 4WNK 453 10.4265
146 1ZZ7 S0H 10.6061
147 2GOO NDG 11.4504
148 2QZT PLM 11.7117
149 1RP7 TZD 11.8483
150 2YAB AMP 12.3223
151 2AR6 NAG MAN 12.7962
152 2PHU MAN MAN MAN BMA MAN 12.7962
153 2PHT MAN MAN MAN BMA MAN 12.7962
154 4XU6 TDA 12.8571
155 1T3Q MCN 13.2701
156 5T8O 76Z 13.7441
157 4QC6 30N 14.5251
158 3B99 U51 14.6919
159 2E56 MYR 15.9722
160 3SLS ANP 17.0616
161 3LXN MI1 18.4834
162 4E1Z 0MX 18.9573
163 5TG5 JW8 19.9052
164 5ODT ADP 21.7391
165 3HZT J60 22.7488
Pocket No.: 2; Query (leader) PDB : 5FS0; Ligand: 5JC; Similar sites found with APoc: 90
This union binding pocket(no: 2) in the query (biounit: 5fs0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2HFN FMN None
2 5UWA 8ND None
3 3TKI S25 1.89573
4 3EBL GA4 1.89573
5 2WG9 OCA 2.30769
6 6CAY ERG 2.36686
7 2Y88 2ER 2.36967
8 1PZO CBT 2.36967
9 4RW3 IPD 2.36967
10 1KPG 16A 2.36967
11 3GC0 AMP 2.36967
12 2CSN CKI 2.36967
13 6ESN BWE 2.36967
14 4L3L 5FI 2.8436
15 4ORM FMN 2.8436
16 4ORM ORO 2.8436
17 4ORM 2V6 2.8436
18 1MJJ HAL 2.8436
19 1MH5 HAL 2.8436
20 5JKG 6LF 3.31754
21 4FL3 ANP 3.31754
22 2VN9 GVD 3.31754
23 1LW4 TLP 3.31754
24 3STD MQ0 3.63636
25 1OPK P16 3.79147
26 5UFN SAH 3.79147
27 3HAZ NAD 3.79147
28 1BYG STU 3.79147
29 5JOX EDG 3.87597
30 5L8N 6RQ 3.90625
31 5I0U DCY 4
32 5FBN 5WF 4.2654
33 6A1G 9OL 4.2654
34 1GHE ACO 4.51977
35 1J6W MET 4.57143
36 4A0M NAD 4.73934
37 1U5R ATP 4.73934
38 4AG8 AXI 4.73934
39 4BCN T9N 4.73934
40 3IDB ANP 4.96894
41 4WNP 3RJ 5.21327
42 1V0O INR 5.21327
43 2F2U M77 5.21327
44 2WYA HMG 5.21327
45 3KDJ A8S 5.6872
46 1OFD AKG 5.6872
47 2IVD FAD 5.6872
48 3KRL KRL 5.6872
49 4K3H 1OM 5.9322
50 4ZOH MCN 5.95238
51 3G08 FEE 6.16114
52 4DC2 ADE 6.16114
53 6BR8 6OU 6.16114
54 2DHC DCE 6.16114
55 1GSA ADP 6.16114
56 2EVL GAL SPH EIC 6.2201
57 1QSM ACO 6.57895
58 1UUO BRF 6.63507
59 4CQE CQE 6.63507
60 4E93 GUI 6.63507
61 3D78 NBB 6.72269
62 4RYV ZEA 7.09677
63 4G31 0WH 7.109
64 5AE9 OKO 7.109
65 4AT3 LTI 7.109
66 4P8K 38C 7.58294
67 4P8K FAD 7.58294
68 3O55 FAD 8
69 1U59 STU 8.53081
70 3E5A VX6 9.00474
71 1IR3 ANP 9.00474
72 5LXM ADP 9.00474
73 5G1X ADP 9.00474
74 3TXO 07U 9.47867
75 4GN8 ASO 10.4265
76 2ZV2 609 10.4265
77 6CMJ F6J 10.4265
78 2JLD AG1 11.8483
79 3F7Z 34O 11.8483
80 5EYK 5U5 13.5593
81 4U44 3D9 13.7441
82 6G34 5ID 14.218
83 3DLS ADP 14.218
84 4LNU GTP 15.1659
85 3RYC GTP 15.1659
86 4C2W ANP 15.3846
87 2OFW ADX 15.3846
88 4C2V YJA 18.1818
89 4P5E N6P 20.3947
90 3BU5 ATP 46.6667
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