Receptor
PDB id Resolution Class Description Source Keywords
3T4K 1.77 Å EC: 2.7.13.3 ARABIDOPSIS HISTIDINE KINASE 4 SENSOR DOMAIN IN COMPLEX WITH BENZYLADENINE ARABIDOPSIS THALIANA SENSOR HISTIDINE KINASE PAS DOMAIN HORMONE RECEPTOR ENDOPRETICULUM
Ref.: STRUCTURAL BASIS FOR CYTOKININ RECOGNITION BY ARABI THALIANA HISTIDINE KINASE 4. NAT.CHEM.BIOL. V. 7 766 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EMU A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
225.249 C12 H11 N5 c1ccc...
MLI B:1;
Invalid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3T4L 1.53 Å EC: 2.7.13.3 ARABIDOPSIS HISTIDINE KINASE 4 SENSOR DOMAIN IN COMPLEX WITH ZEATIN ARABIDOPSIS THALIANA SENSOR HISTIDINE KINASE PAS DOMAIN HORMONE RECEPTOR ENDOPRETICULUM
Ref.: STRUCTURAL BASIS FOR CYTOKININ RECOGNITION BY ARABI THALIANA HISTIDINE KINASE 4. NAT.CHEM.BIOL. V. 7 766 2011
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3T4L - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3T4O - WA2 C10 H15 N5 O C[C@H](CCN....
3 3T4T - WA1 C9 H8 N4 O S c1ccc(cc1)....
4 3T4J - ZIP C10 H13 N5 CC(=CCNc1c....
5 3T4K - EMU C12 H11 N5 c1ccc(cc1)....
6 3T4S - H35 C10 H9 N5 O c1cc(oc1)C....
7 3T4Q - ZEA C10 H13 N5 O C/C(=CCNc1....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3T4L - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3T4O - WA2 C10 H15 N5 O C[C@H](CCN....
3 3T4T - WA1 C9 H8 N4 O S c1ccc(cc1)....
4 3T4J - ZIP C10 H13 N5 CC(=CCNc1c....
5 3T4K - EMU C12 H11 N5 c1ccc(cc1)....
6 3T4S - H35 C10 H9 N5 O c1cc(oc1)C....
7 3T4Q - ZEA C10 H13 N5 O C/C(=CCNc1....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3T4L - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3T4O - WA2 C10 H15 N5 O C[C@H](CCN....
3 3T4T - WA1 C9 H8 N4 O S c1ccc(cc1)....
4 3T4J - ZIP C10 H13 N5 CC(=CCNc1c....
5 3T4K - EMU C12 H11 N5 c1ccc(cc1)....
6 3T4S - H35 C10 H9 N5 O c1cc(oc1)C....
7 3T4Q - ZEA C10 H13 N5 O C/C(=CCNc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EMU; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 EMU 1 1
2 2KU 0.540984 0.647059
3 ZIP 0.492063 0.804878
4 ZEA 0.462687 0.717391
5 ZEZ 0.462687 0.717391
6 36O 0.409091 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3T4L; Ligand: ZEA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3t4l.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3T4L; Ligand: ZEA; Similar sites found: 204
This union binding pocket(no: 2) in the query (biounit: 3t4l.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MJA 7O3 0.001443 0.42171 1.85185
2 4Y2B EPK 0.01208 0.41483 1.85185
3 1D6H COA 0.02426 0.4071 1.85185
4 1SES AHX 0.006613 0.40637 1.85185
5 4ASE AV9 0.01229 0.40395 1.85185
6 3SAO NKN 0.002561 0.40987 1.875
7 3IS2 FAD 0.001207 0.4515 1.94805
8 1M15 ARG 0.002389 0.44474 2.22222
9 1M15 ADP 0.002389 0.44474 2.22222
10 4BG4 ADP 0.0007507 0.44396 2.22222
11 2OFV 242 0.002787 0.44284 2.22222
12 5HES 032 0.001452 0.43949 2.22222
13 4B0T ADP 0.002288 0.43411 2.22222
14 5F3I 5UJ 0.02819 0.41003 2.22222
15 4AU8 Z3R 0.01303 0.40442 2.22222
16 4XLI 1N1 0.002094 0.42867 2.23881
17 2Y91 98J 0.02246 0.40292 2.26415
18 1QY1 PRZ 0.0002949 0.44038 2.29885
19 5HCY 60D 0.0003521 0.49359 2.59259
20 2J3M PRI 0.001544 0.44009 2.59259
21 2J3M ATP 0.0017 0.43643 2.59259
22 4BVA T3 0.004839 0.43605 2.59259
23 3MF2 AMP 0.001755 0.43581 2.59259
24 5X8G S0N 0.008948 0.43236 2.59259
25 5VCV 1N1 0.0003265 0.4243 2.59259
26 4C2X NHW 0.009285 0.42358 2.59259
27 2CJ9 SSA 0.003367 0.41758 2.59259
28 4ISS TAR 0.01284 0.41572 2.59259
29 4J7U NAP 0.01889 0.41153 2.59259
30 4J7U YTZ 0.01889 0.41153 2.59259
31 3JU6 ANP 0.00116 0.40235 2.59259
32 5FAW CHT 0.02238 0.40119 2.59259
33 2CBO TH2 0.01299 0.4132 2.6087
34 1N9L FMN 0.0001562 0.46521 2.75229
35 3PA8 621 0.01328 0.41274 2.75591
36 5VC5 96M 0.00009459 0.50028 2.96296
37 1GQG DCD 0.0006474 0.45516 2.96296
38 1Q11 TYE 0.004066 0.43879 2.96296
39 1Y42 TYR 0.005628 0.43164 2.96296
40 5EW9 5VC 0.03305 0.42644 2.96296
41 1VRP ADP 0.001585 0.41883 2.96296
42 3DAK ANP 0.004856 0.41635 2.96296
43 1MO9 KPC 0.04553 0.41304 2.96296
44 4WCX ALA 0.01032 0.41227 2.96296
45 4RDL FUC GAL NDG FUC 0.0166 0.40884 2.96296
46 4YLL 4E3 0.007125 0.40861 2.96296
47 4M8D 23J 0.008648 0.41744 3.04183
48 2Z6D FMN 0.001158 0.43792 3.07692
49 5L8N 6RQ 0.01272 0.41502 3.125
50 5F6U 5VK 0.008948 0.40998 3.18471
51 5FLJ QUE 0.001888 0.43255 3.22581
52 2BKX F6R 0.005831 0.41272 3.30579
53 3B6R ADP 0.0005646 0.45406 3.33333
54 5MRH Q9Z 0.005031 0.42904 3.33333
55 3E7O 35F 0.007213 0.41861 3.33333
56 1O9U ADZ 0.005041 0.41321 3.33333
57 4OYA 1VE 0.03334 0.41158 3.33333
58 5MY8 RXZ 0.008849 0.40755 3.33333
59 4YMJ 4EJ 0.02008 0.40459 3.33333
60 3VRY B43 0.000431 0.40442 3.33333
61 3PUR 2HG 0.02328 0.40247 3.33333
62 2Y6Q I7T 0.03526 0.40155 3.33333
63 2G30 ALA ALA PHE 0.000001217 0.63055 3.48837
64 5W10 CMP 0.00655 0.40487 3.58974
65 4WOE ADP 0.0002998 0.50142 3.7037
66 2XVD AS6 0.0006944 0.46248 3.7037
67 5JKG 6LF 0.002542 0.44708 3.7037
68 4YVN EBS 0.0051 0.43688 3.7037
69 4NFN 2KC 0.003951 0.41637 3.7037
70 4O9S 2RY 0.0004186 0.40754 3.72093
71 2WKQ FMN 0.0009874 0.43127 3.91566
72 1WUB OTP 0.00304 0.44877 3.93258
73 3G5D 1N1 0.00163 0.47108 4.07407
74 4XV1 904 0.0009071 0.46301 4.07407
75 5C5H 4YB 0.001832 0.44168 4.07407
76 5EOB 5QQ 0.00667 0.44021 4.07407
77 4OPC PGT 0.02295 0.43722 4.07407
78 4CQE CQE 0.001006 0.41933 4.07407
79 5HTX ADP 0.007708 0.4154 4.07407
80 5F7J ADE 0.01692 0.40913 4.07407
81 3QO8 SSA 0.008779 0.40087 4.07407
82 3NZ1 3NY 0.0005297 0.48769 4.21456
83 1FEC FAD 0.01237 0.42386 4.44444
84 4ITH RCM 0.001112 0.41451 4.44444
85 1U1W 3HA 0.009046 0.40399 4.44444
86 1ULE GLA GAL NAG 0.0156 0.40975 4.66667
87 3OQJ 3CX 0.0049 0.42485 4.66926
88 5A5W GUO 0.02866 0.40009 4.74308
89 1ZK4 NAP 0.01455 0.41125 4.78088
90 3A5Z KAA 0.001074 0.45061 4.81482
91 4FFG 0U8 0.005123 0.4337 4.81482
92 3A5Y KAA 0.002636 0.43133 4.81482
93 4BKJ STI 0.005833 0.41574 4.81482
94 1N7G GDR 0.03177 0.40948 4.81482
95 3GC8 B45 0.001827 0.40384 4.81482
96 3E2M E2M 0.02791 0.41095 4.86486
97 5H2U 1N1 0.0001396 0.4758 4.86891
98 1OUK 084 0.004488 0.47206 5.18518
99 3KRR DQX 0.002022 0.47193 5.18518
100 4LOO SB4 0.0003618 0.45777 5.18518
101 1V59 FAD 0.003672 0.44863 5.18518
102 4ANW O92 0.01064 0.41203 5.18518
103 3LJU IP9 0.02975 0.40631 5.18518
104 3KV5 OGA 0.01332 0.40559 5.18518
105 3LGS ADE 0.008764 0.42395 5.24345
106 2YMZ LAT 0.006413 0.40112 5.38462
107 4U0I 0LI 0.01145 0.40933 5.39683
108 2V0U FMN 0.001282 0.42668 5.47945
109 5DJT FMN 0.00122 0.43694 5.51724
110 5DJU FMN 0.001733 0.41453 5.51724
111 5UR1 YY9 0.002211 0.44234 5.55556
112 2WEI VGG 0.000675 0.43504 5.55556
113 4I42 1HA 0.02018 0.42197 5.55556
114 2X2M X2M 0.00354 0.42042 5.55556
115 2AMV BIN 0.01965 0.41634 5.55556
116 4Y8D 49J 0.02001 0.40367 5.71429
117 5E89 TD2 0.007137 0.40489 5.7554
118 3P7N FMN 0.0001347 0.46798 5.81395
119 4MPO AMP 0.01493 0.40049 5.88235
120 1G0N PHH 0.0162 0.41385 5.92593
121 1G0N NDP 0.01422 0.41374 5.92593
122 2EWM NAD 0.0181 0.40128 6.0241
123 1MDC PLM 0.003643 0.42164 6.06061
124 4HIA FMN 0.0003713 0.48383 6.25
125 1GT4 UNA 0.0003053 0.45437 6.28931
126 4YSX E23 0.008142 0.42352 6.2963
127 3G08 FEE 0.01774 0.42002 6.2963
128 1WLE SRP 0.006416 0.40526 6.2963
129 3E7S AT2 0.02153 0.40518 6.2963
130 3KRL KRL 0.00974 0.40085 6.2963
131 1KGI T4A 0.005555 0.41511 6.29921
132 3E9I XAH 0.000534 0.46927 6.66667
133 5A3T MMK 0.004654 0.42741 6.66667
134 4WNP 3RJ 0.003751 0.42582 6.66667
135 4USF 6UI 0.003322 0.42515 6.66667
136 3LVW GSH 0.01139 0.41523 6.66667
137 4YEF 4CQ 0.01225 0.40918 6.74157
138 1FS5 TLA 0.003599 0.41818 6.76692
139 4KBA 1QM 0.0001538 0.4165 6.94864
140 5W4W 9WG 0.0006582 0.40436 6.94864
141 3A6T 8OG 0.005697 0.40927 6.97674
142 4TW7 37K 0.01361 0.40053 7.03125
143 3RI1 3RH 0.007695 0.41181 7.03704
144 4J75 TYM 0.01455 0.40194 7.09046
145 5IXG OTP 0.02449 0.40773 7.10059
146 4RT1 C2E 0.006139 0.40781 7.14286
147 3EM0 CHD 0.004216 0.44293 7.24638
148 5DYO FLU 0.0002794 0.40228 7.33945
149 5A0U CHT 0.01441 0.41093 7.40741
150 3HXU A5A 0.001646 0.40623 7.40741
151 1OFS SUC 0.01607 0.41302 7.48663
152 1ERB ETR 0.002139 0.43862 7.65027
153 4H2X G5A 0.00111 0.42945 7.76699
154 1X54 4AD 0.002699 0.43086 7.77778
155 4F4P 0SB 0.01975 0.41981 7.77778
156 1X8X TYR 0.01255 0.40521 7.77778
157 1C1L GAL BGC 0.016 0.40917 8.0292
158 1IIU RTL 0.002357 0.40391 8.04598
159 3ZJX BOG 0.00684 0.43044 8.14815
160 1DZK PRZ 0.0007342 0.44897 8.28025
161 3WYJ H78 0.04561 0.40523 8.3004
162 2YKL NLD 0.0008312 0.42654 8.33333
163 5LRT ADP 0.001729 0.4396 8.51852
164 2Y6O 1N1 0.003144 0.42271 8.51852
165 2E5A LAQ 0.007697 0.41465 8.51852
166 3SXF BK5 0.0002474 0.49068 8.88889
167 5KJW 53C 0.002622 0.45017 8.88889
168 3PP0 03Q 0.0002516 0.41482 8.88889
169 4YMU ARG 0.005029 0.43387 9.16667
170 5L2J 70E 0.009852 0.44017 9.18367
171 5L2J 6UL 0.009297 0.44017 9.18367
172 2GJ5 VD3 0.006222 0.42873 9.25926
173 4WUJ FMN 0.0009592 0.43265 9.52381
174 4XH0 ADP 0.01105 0.41849 9.62963
175 4Z3E GAL NGA GLA BGC GAL 0.0222 0.40052 10.101
176 2XG5 EC2 0.002465 0.44665 10.5505
177 2XG5 EC5 0.002465 0.44665 10.5505
178 2HK5 1BM 0.003212 0.42043 10.7407
179 2XKO AKG 0.01889 0.40777 11.236
180 4EES FMN 0.0003342 0.46382 11.3043
181 1J3R 6PG 0.0008932 0.41817 11.5789
182 2GC0 PAN 0.0002239 0.46685 11.7021
183 1EM6 CP4 0.01818 0.43933 11.8519
184 4CS4 AXZ 0.002061 0.45886 12.2222
185 4CS4 ANP 0.001924 0.45394 12.2222
186 4GCZ FMN 0.0006017 0.4504 12.2222
187 1U6R ADP 0.0007623 0.44366 12.2222
188 3GC0 AMP 0.002323 0.40797 12.5926
189 5T7I LAT NAG GAL 0.0228 0.40383 12.9032
190 4WVW SLT 0.01188 0.40573 13.1944
191 4UWJ 7L5 0.01054 0.43742 14.0741
192 4UWJ MYA 0.01054 0.43742 14.0741
193 5DKK FMN 0.001157 0.42943 14.4828
194 4J56 FAD 0.004642 0.44279 14.9123
195 5M6N 7H9 0.02444 0.40126 16.9492
196 4C2W ANP 0.002438 0.40018 17.3077
197 4C2V YJA 0.000866 0.45963 18.1818
198 5SVV FMN 0.001156 0.42282 18.2482
199 2Z6C FMN 0.0006156 0.44997 18.6047
200 4B2Z P5S 0.003549 0.44136 19.2593
201 5FUI APY 0.0005883 0.49109 19.697
202 2PR5 FMN 0.0005256 0.44329 24.2424
203 1NCQ W11 0.004388 0.41252 25
204 5EFW FMN 0.001792 0.42063 30
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