Receptor
PDB id Resolution Class Description Source Keywords
4GY9 2.04 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA NODULIN 13 (MTN13) WITH N6-ISOPENTENYLADENINE (2IP) MEDICAGO TRUNCATULA PR-10 FOLD NODULIN NODULATION LEGUME PLANT-RHIZOBIUM SYMBCYTOKININ BINDING PLANT PROTEIN
Ref.: THE LANDSCAPE OF CYTOKININ BINDING BY A PLANT NODUL ACTA CRYSTALLOGR.,SECT.D V. 69 2365 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:208;
Invalid;
none;
submit data
102.046 C3 H2 O4 C(C(=...
ZIP A:201;
Valid;
none;
submit data
203.244 C10 H13 N5 CC(=C...
NA A:204;
A:202;
A:207;
A:206;
A:203;
A:205;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JHG 1.85 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MEDICAGO TRUNCATULA NODULIN 13 (MTN13) WITH TRANS-ZEATIN MEDICAGO TRUNCATULA PR-10 FOLD NODULIN NODULATION LEGUME-BACTERIA SYMBIOSIS FIXATION CYTOKININ BINDING PLANT PROTEIN
Ref.: THE LANDSCAPE OF CYTOKININ BINDING BY A PLANT NODUL ACTA CRYSTALLOGR.,SECT.D V. 69 2365 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4JHG - ZEA C10 H13 N5 O C/C(=CCNc1....
2 4JHH - H35 C10 H9 N5 O c1cc(oc1)C....
3 4GY9 - ZIP C10 H13 N5 CC(=CCNc1c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4JHG - ZEA C10 H13 N5 O C/C(=CCNc1....
2 4JHH - H35 C10 H9 N5 O c1cc(oc1)C....
3 4GY9 - ZIP C10 H13 N5 CC(=CCNc1c....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2QIM - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3E85 Kd = 4.2 uM BSU C13 H12 N2 O c1ccc(cc1)....
3 4JHG - ZEA C10 H13 N5 O C/C(=CCNc1....
4 4JHH - H35 C10 H9 N5 O c1cc(oc1)C....
5 4GY9 - ZIP C10 H13 N5 CC(=CCNc1c....
6 4MA6 - 28E C15 H14 O6 c1cc(c(cc1....
7 4A87 - NAR C15 H12 O5 c1cc(ccc1[....
8 4A8V - 2AN C16 H13 N O3 S c1ccc(cc1)....
9 4A86 - H35 C10 H9 N5 O c1cc(oc1)C....
10 4A85 - H35 C10 H9 N5 O c1cc(oc1)C....
11 4MNS - 2AX C15 H15 N O4 S C[C@H]1CS[....
12 4A83 - DXC C24 H40 O4 C[C@H](CCC....
13 4A80 - 2AN C16 H13 N O3 S c1ccc(cc1)....
14 1FM4 - DXC C24 H40 O4 C[C@H](CCC....
15 4A81 - DXC C24 H40 O4 C[C@H](CCC....
16 4A84 - DXC C24 H40 O4 C[C@H](CCC....
17 4RYV - ZEA C10 H13 N5 O C/C(=CCNc1....
18 5I8F - ML1 C13 H16 N2 O2 CC(=O)NCCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZIP; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZIP 1 1
2 ZEA 0.745455 0.808511
3 ZEZ 0.745455 0.808511
4 2KU 0.533333 0.636364
5 EMU 0.492063 0.804878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JHG; Ligand: ZEA; Similar sites found: 177
This union binding pocket(no: 1) in the query (biounit: 4jhg.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.0002745 0.53651 None
2 1SS4 CIT 0.02062 0.43446 None
3 3JRS A8S 0.002793 0.42092 None
4 1UO5 PIH 0.02987 0.41817 None
5 2GJ3 FAD 0.001537 0.41528 None
6 3R35 4CO 0.003547 0.41414 None
7 3W54 RNB 0.0007468 0.41041 None
8 2HMT NAI 0.01318 0.40809 None
9 1KYV RBF 0.001559 0.40706 None
10 2HJ3 FAD 0.002388 0.40652 None
11 2C1Q BTN 0.01017 0.4055 None
12 2QLX RM4 0.01514 0.40534 None
13 1QJC PNS 0.005407 0.42736 1.26582
14 2Y7P SAL 0.0003835 0.45508 1.78571
15 2WGC SIA GAL BGC 0.02217 0.42527 1.78571
16 1ZK4 AC0 0.03353 0.40726 1.78571
17 1ZK4 NAP 0.03353 0.40726 1.78571
18 2PP3 LGT 0.001791 0.40715 1.78571
19 2VBQ BSJ 0.004539 0.41377 1.81818
20 4HN1 TYD 0.006626 0.41649 2.38095
21 3I28 34N 0.008907 0.41414 2.38095
22 3TL1 JRO 0.01951 0.40231 2.51572
23 3KMZ EQO 0.0003073 0.44798 2.97619
24 3WE0 FAD 0.007435 0.41466 2.97619
25 1T27 PCW 0.02546 0.40743 2.97619
26 2ZB3 NDP 0.005836 0.40332 2.97619
27 2IYG FMN 0.003053 0.40326 3.22581
28 3ZPG 5GP 0.001648 0.46586 3.57143
29 1NHZ 486 0.0001363 0.45338 3.57143
30 3F81 STT 0.003327 0.44269 3.57143
31 1RYI FAD 0.001772 0.4374 3.57143
32 3F3E LEU 0.001538 0.43544 3.57143
33 1TIW FAD 0.004545 0.4182 3.57143
34 1TIW TFB 0.004545 0.4182 3.57143
35 4LSJ LSJ 0.001238 0.41679 3.57143
36 3K3K A8S 0.001413 0.41449 3.57143
37 3LPF Z77 0.00417 0.40595 3.57143
38 3UR0 SVR 0.01442 0.40405 3.57143
39 1HFS L04 0.004291 0.41227 3.75
40 1BTN I3P 0.0003303 0.5274 3.77358
41 1PEA ACM 0.001372 0.46089 4.16667
42 1EP2 ORO 0.001147 0.43672 4.16667
43 2J8Z NAP 0.001028 0.43162 4.16667
44 1TDF FAD 0.003279 0.43158 4.16667
45 1EP2 FMN 0.0009544 0.43131 4.16667
46 1UBY DMA 0.0004884 0.42478 4.16667
47 1FL2 FAD 0.004986 0.41868 4.16667
48 1QO0 BMD 0.006823 0.41498 4.16667
49 1TDF NAP 0.01972 0.41406 4.16667
50 2Q0D ATP 0.01154 0.41257 4.16667
51 1M5B BN1 0.01615 0.41037 4.16667
52 3H0A D30 0.01217 0.40753 4.16667
53 1NZY BCA 0.004358 0.40668 4.16667
54 4W6Z 8ID 0.007937 0.40554 4.16667
55 1BUC CAA 0.004605 0.40129 4.16667
56 3QDY A2G GAL 0.01317 0.41434 4.1958
57 3QDT A2G GAL 0.02062 0.40506 4.1958
58 3MBG FAD 0.001995 0.41627 4.31655
59 2ZWS PLM 0.01336 0.43729 4.7619
60 2RHW C0E 0.00446 0.43628 4.7619
61 1G0N PHH 0.001995 0.43537 4.7619
62 2YVF FAD 0.00544 0.43201 4.7619
63 2YVF NAD 0.00565 0.43201 4.7619
64 1RZM E4P 0.005786 0.42442 4.7619
65 1RZM PEP 0.003107 0.41802 4.7619
66 1YKD CMP 0.004652 0.4132 4.7619
67 3L0E G58 0.002915 0.41173 4.7619
68 4PLG NAI 0.01191 0.40082 4.7619
69 4PLG OXM 0.01191 0.40082 4.7619
70 3O55 FAD 0.004066 0.40484 4.8
71 4QPW XYP XYP XYP 0.02495 0.42161 4.92958
72 2V5E SCR 0.0002533 0.51758 4.9505
73 1Y9Q MED 0.0004676 0.46597 5.35714
74 2V7T SAH 0.01339 0.42841 5.35714
75 3LZW NAP 0.006734 0.42678 5.35714
76 1H82 GZZ 0.008049 0.42494 5.35714
77 4IAE 1DX 0.00702 0.42038 5.35714
78 1REO FAD 0.00497 0.41772 5.35714
79 1Y0G 8PP 0.01634 0.41694 5.35714
80 4RJK PYR 0.01198 0.41629 5.35714
81 3KDJ A8S 0.002252 0.413 5.35714
82 1IA7 BGC BGC 0.01256 0.41099 5.35714
83 3GWT 066 0.004429 0.41048 5.35714
84 1OAA OAA 0.01387 0.40385 5.35714
85 3MAG 3MA 0.04186 0.40268 5.35714
86 1DLJ UGA 0.02002 0.40226 5.35714
87 2JEN GLC GLC BGC XYS BGC XYS 0.04037 0.40125 5.35714
88 3LZW FAD 0.01276 0.40064 5.35714
89 4NTD FAD 0.003138 0.42448 5.95238
90 1R6D NAD 0.007634 0.42162 5.95238
91 1Q11 TYE 0.00265 0.42084 5.95238
92 1H0C AOA 0.006946 0.4208 5.95238
93 3O2K DST 0.003829 0.41432 5.95238
94 1WUB OTP 0.02237 0.41021 5.95238
95 2ZJ5 ADP 0.009844 0.40257 5.95238
96 1U5R ATP 0.00194 0.4015 5.95238
97 3F8C HT1 0.00233 0.42905 6.34921
98 1LSS NAD 0.003263 0.40164 6.42857
99 1I0Z OXM 0.003088 0.45239 6.54762
100 1DR1 HBI 0.00125 0.43893 6.54762
101 1DR1 NAP 0.00125 0.43893 6.54762
102 2IXB A2G 0.006258 0.41277 6.54762
103 1V7R CIT 0.02766 0.41213 6.54762
104 2DKH FAD 0.006024 0.40786 6.54762
105 3JYN NDP 0.006453 0.40672 6.54762
106 1GVE CIT 0.0233 0.40375 6.54762
107 2J5S KTA 0.002669 0.40091 6.54762
108 2DKH 3HB 0.01359 0.40055 6.54762
109 4NAT ADP 0.04765 0.40155 6.875
110 4M5P MLA 0.008442 0.43893 7.14286
111 3FC2 IBI 0.001384 0.42823 7.14286
112 1Y52 BTN 0.00425 0.4224 7.14286
113 1Y42 TYR 0.004407 0.41182 7.14286
114 2R14 FMN 0.004464 0.40485 7.14286
115 1IYE PGU 0.006482 0.4042 7.14286
116 4M5P 23W 0.02186 0.40384 7.14286
117 2R40 EPH 0.00383 0.41222 7.7381
118 2E2R 2OH 0.006186 0.40859 7.7381
119 2R40 20E 0.003049 0.40787 7.7381
120 1EB9 HBA 0.002766 0.40485 7.7381
121 4A6D SAM 0.002531 0.40372 7.7381
122 1KTC NGA 0.00825 0.40069 7.7381
123 1C1L GAL BGC 0.007874 0.41831 8.0292
124 1QF5 RPL 0.008167 0.41649 8.33333
125 1QF5 GDP 0.008167 0.41649 8.33333
126 3NKS FAD 0.00665 0.41069 8.33333
127 1D09 PAL 0.04631 0.41034 8.49673
128 2AMV BIN 0.001138 0.45278 8.92857
129 4OJ8 2TQ 0.001122 0.42023 8.92857
130 2XK9 XK9 0.004866 0.41261 8.92857
131 4OJ8 AKG 0.00282 0.40204 8.92857
132 3I0O SMI 0.01052 0.40134 8.92857
133 2C7G FAD 0.007168 0.42422 9.52381
134 2C7G ODP 0.007544 0.42258 9.52381
135 1EDO NAP 0.0219 0.41101 9.52381
136 3T31 FAD 0.01569 0.4095 9.52381
137 3T31 DCQ 0.02091 0.40572 9.52381
138 2YC5 6BC 0.01031 0.40114 9.52381
139 1POC GEL 0.00138 0.40892 9.70149
140 4FR3 0V4 0.01058 0.42497 10.119
141 2Q37 3AL 0.006873 0.40918 10.119
142 4FR3 LYS ARG ARG LYS SEP VAL 0.03909 0.40081 10.119
143 1ECC PCP 0.0004327 0.43714 10.7143
144 1Q3Q ANP 0.003797 0.4348 10.7143
145 2XDQ MGX 0.01511 0.41826 10.7143
146 2J7T 274 0.003872 0.41001 10.7143
147 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002846 0.40558 10.7143
148 2RDT 2RD 0.02949 0.40438 10.7143
149 3OND ADN 0.01803 0.40257 10.7143
150 3OND NAD 0.01803 0.40257 10.7143
151 4KCF AKM 0.00435 0.40058 10.7143
152 1T0S BML 0.02101 0.40467 11.6279
153 1O9U ADZ 0.0009963 0.47664 11.9048
154 4NM5 ADP 0.001286 0.41808 11.9048
155 1OGZ EQU 0.006699 0.41196 12
156 4M51 BEZ 0.002076 0.45238 12.5
157 2F01 BTQ 0.01869 0.41217 12.5984
158 2F01 BTN 0.02853 0.40441 12.5984
159 1C0I FAD 0.007537 0.4162 13.6905
160 1C0I BE2 0.007537 0.4162 13.6905
161 1F1V DHY 0.003035 0.41308 13.6905
162 1SG4 CO8 0.005303 0.40207 13.6905
163 4HA6 FAD 0.004631 0.42284 14.2857
164 2CKM AA7 0.004378 0.42189 14.881
165 4CKU P2F 0.000624 0.46144 15.4762
166 3RLF MAL 0.009154 0.4142 15.4762
167 3PFG SAM 0.01033 0.4062 15.4762
168 3PFG TLO 0.01033 0.4062 15.4762
169 2Y69 CHD 0.01223 0.41165 15.7143
170 4CCO OGA 0.005184 0.40894 16.6667
171 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01328 0.40189 17.2619
172 1VDC FAD 0.006563 0.42032 17.8571
173 2EFJ SAH 0.0004992 0.42445 19.0476
174 1KGQ SCO 0.03858 0.40363 19.0476
175 3G08 FEE 0.01766 0.42334 20.202
176 1FIQ MTE 0.004388 0.40932 20.2381
177 4PSB GA3 0.005178 0.4328 32.9032
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