-->
Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZEA A:201;
Valid;
none;
submit data
219.243 C10 H13 N5 O C/C(=...
NA A:203;
A:204;
A:205;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
MLI A:202;
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
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 1443 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 1205 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 (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2QIM - ZEA C10 H13 N5 O C/C(=CCNc1....
2 5MXB - ML1 C13 H16 N2 O2 CC(=O)NCCc....
3 3E85 Kd = 4.2 uM BSU C13 H12 N2 O c1ccc(cc1)....
4 5MXW - ZEA C10 H13 N5 O C/C(=CCNc1....
5 4JHG - ZEA C10 H13 N5 O C/C(=CCNc1....
6 4JHH - H35 C10 H9 N5 O c1cc(oc1)C....
7 4GY9 - ZIP C10 H13 N5 CC(=CCNc1c....
8 4MA6 - 28E C15 H14 O6 c1cc(c(cc1....
9 4A87 - NAR C15 H12 O5 c1cc(ccc1[....
10 4A8V - 2AN C16 H13 N O3 S c1ccc(cc1)....
11 4A86 - H35 C10 H9 N5 O c1cc(oc1)C....
12 4A85 - H35 C10 H9 N5 O c1cc(oc1)C....
13 4MNS - 2AX C15 H15 N O4 S C[C@H]1CS[....
14 4A83 - DXC C24 H40 O4 C[C@H](CCC....
15 4A80 - 2AN C16 H13 N O3 S c1ccc(cc1)....
16 1FM4 - DXC C24 H40 O4 C[C@H](CCC....
17 4A81 - DXC C24 H40 O4 C[C@H](CCC....
18 4A84 - DXC C24 H40 O4 C[C@H](CCC....
19 4RYV - ZEA C10 H13 N5 O C/C(=CCNc1....
20 5I8F - ML1 C13 H16 N2 O2 CC(=O)NCCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZEA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEZ 1 1
2 ZEA 1 1
3 ZIP 0.745455 0.808511
4 2KU 0.5 0.696429
5 EMU 0.462687 0.717391
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JHG; Ligand: ZEA; Similar sites found with APoc: 77
This union binding pocket(no: 1) in the query (biounit: 4jhg.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3JRS A8S None
3 4F4S EFO None
4 4HN1 TYD 2.38095
5 5AZC PGT 2.38095
6 5BYK A3P 2.38095
7 5BYK OAQ 2.38095
8 3TL1 JRO 2.51572
9 5F1R 42O 2.97619
10 1T27 PCW 2.97619
11 3SFI 3SF 2.97619
12 1ZED PNP 2.97619
13 5UR6 8KM 3.57143
14 4WVO 3UZ 3.57143
15 4LA7 A1O 3.57143
16 3E70 GDP 4.16667
17 2ZCQ B65 4.16667
18 2Q0D ATP 4.16667
19 3H0A D30 4.16667
20 6FOF LAT 4.16667
21 1MID LAP 4.3956
22 4P8K 38C 4.7619
23 4P8K FAD 4.7619
24 5UWA 8ND 4.7619
25 1YKD CMP 4.7619
26 4QPW XYP XYP XYP 4.92958
27 5CHR 4NC 5.10949
28 1NU4 MLA 5.15464
29 1Y0G 8PP 5.35714
30 5LGA 6VH 5.35714
31 3KDJ A8S 5.35714
32 1IA7 BGC BGC 5.35714
33 5NCJ SIN 5.35714
34 5W7B MYR 5.35714
35 3VRV YSD 5.35714
36 5KD8 TNR 5.95238
37 1WUB OTP 5.95238
38 3CHT 4NB 5.95238
39 1YP0 PEF 5.95238
40 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 6.12245
41 3F8C HT1 6.34921
42 1GVE CIT 6.54762
43 5VGS 9A7 7.00637
44 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 7.14286
45 6CAY ERG 7.14286
46 3CQL NAG 7.7381
47 3CQL NDG 7.7381
48 5NTP 98E 7.7381
49 3V66 D3A 7.7381
50 3NB0 G6P 8.33333
51 1ZPD CIT 8.33333
52 5OLK DTP 9.52381
53 3N7S 3N7 9.56522
54 4YHQ G10 10.101
55 1OGZ EQU 12
56 4F7E 0SH 12.2449
57 5LX9 OLB 12.5
58 5IM3 DTP 12.5
59 6BYM HC3 13.0952
60 4QJR PIZ 13.6905
61 5OCA 9QZ 15.0794
62 3RLF MAL 15.4762
63 2Y69 CHD 15.7143
64 4OGQ 7PH 16.2162
65 5U98 1KX 18.1818
66 5WL1 CUY 18.1818
67 4ZGM 32M 19.3548
68 3QUZ QUV 20.202
69 3RUG DB6 20.202
70 3G08 FEE 20.202
71 3SCM LGN 20.202
72 5M36 9SZ 20.2381
73 5M37 9SZ 20.2381
74 5Z84 CHD 28.2609
75 5ZCO CHD 28.2609
76 5W97 CHD 28.2609
77 4PSB GA3 32.9032
Pocket No.: 2; Query (leader) PDB : 4JHG; Ligand: ZEA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4jhg.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback