Receptor
PDB id Resolution Class Description Source Keywords
2QIM 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PATHOGENESIS-RELATED PROTEIN LLPR-10.2B YELLOW LUPINE IN COMPLEX WITH CYTOKININ LUPINUS LUTEUS TRANS-ZEATIN CYTOKININ PLANT HORMONES PLANT PROTEIN PR-1PROTEIN PATHOGENESIS-RELATED PROTEIN ALLERGEN
Ref.: LUPINUS LUTEUS PATHOGENESIS-RELATED PROTEIN AS A RE FOR CYTOKININ. J.MOL.BIOL. V. 378 1040 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:158;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:163;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZEA A:159;
A:160;
A:161;
A:162;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
219.243 C10 H13 N5 O C/C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E85 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PATHOGENESIS-RELATED PROTEIN LLPR-10.2B YELLOW LUPINE IN COMPLEX WITH DIPHENYLUREA LUPINUS LUTEUS PLANT HORMONES CYTOKININ DIPHENYLUREA PLANT PR-10 PROTEINLUPINE PATHOGENESIS-RELATED PROTEIN PLANT DEFENSE PLANT
Ref.: CYTOKININ-INDUCED STRUCTURAL ADAPTABILITY OF A LUPI LUTEUS PR-10 PROTEIN. FEBS J. V. 276 1596 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2QIM - ZEA C10 H13 N5 O C/C(=CCNc1....
2 3E85 Kd = 4.2 uM BSU C13 H12 N2 O c1ccc(cc1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 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 4MA6 - 28E C15 H14 O6 c1cc(c(cc1....
4 4RYV - ZEA C10 H13 N5 O C/C(=CCNc1....
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: ZEA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEA 1 1
2 ZEZ 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 : 3E85; Ligand: BSU; Similar sites found: 126
This union binding pocket(no: 1) in the query (biounit: 3e85.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T7I LAT NAG GAL 0.0007799 0.5092 None
2 1C1L GAL BGC 0.001979 0.48323 None
3 5AIG VPR 0.001247 0.48301 None
4 4RW3 PLM 0.02365 0.45406 None
5 4RW3 SHV 0.01567 0.45334 None
6 1W6P NDG GAL 0.01023 0.43002 None
7 5M6N 7H9 0.03291 0.41973 None
8 4LWU 20U 0.02112 0.41199 None
9 2YJD YJD 0.02079 0.40901 None
10 1U3R 338 0.0179 0.40897 None
11 4GGZ BTN 0.03698 0.40302 None
12 1QY1 PRZ 0.0008415 0.45975 1.26582
13 1AUA BOG 0.03197 0.41749 1.26582
14 2ZHL NAG GAL GAL NAG 0.003358 0.45607 1.35135
15 4WUJ FMN 0.01444 0.41028 1.36054
16 5KJW 53C 0.002086 0.48311 1.89873
17 1UNB AKG 0.00101 0.43606 1.89873
18 4YVN EBS 0.02437 0.42486 1.89873
19 1DZK PRZ 0.002387 0.45471 1.91083
20 3W9K MYR 0.008167 0.43254 2.15827
21 3NZ1 3NY 0.001039 0.50279 2.53165
22 3OPT AKG 0.01041 0.44674 2.53165
23 2YMZ LAT 0.004595 0.44593 3.07692
24 3WV6 GAL BGC 0.006987 0.42986 3.16456
25 4K79 GAL A2G 0.03785 0.40955 3.16456
26 1OJJ GLC GAL 0.04695 0.40448 3.16456
27 5ICK FEZ 0.003532 0.43882 3.79747
28 3B6R ADP 0.008795 0.42723 3.79747
29 4KBA 1QM 0.01965 0.42485 3.79747
30 4X5S AZM 0.03966 0.41531 3.79747
31 4OKD GLC GLC GLC 0.03902 0.41456 3.79747
32 2F2U M77 0.02645 0.41409 3.79747
33 5K53 STE 0.01344 0.40872 3.79747
34 5EW9 5VC 0.01228 0.40512 3.79747
35 3OKI OKI 0.01702 0.404 3.79747
36 5DMZ ADP 0.02279 0.40394 3.79747
37 3SHZ 5CO 0.04256 0.40322 3.79747
38 2DSA HPX 0.01184 0.40018 3.79747
39 1YRX FMN 0.01839 0.41161 4.13223
40 1M2Z BOG 0.001311 0.53359 4.43038
41 1TV5 N8E 0.001057 0.49829 4.43038
42 3PUR 2HG 0.008406 0.45203 4.43038
43 4OPC PGT 0.001686 0.44194 4.43038
44 4OPC FDA 0.002048 0.43532 4.43038
45 5FWJ MMK 0.02515 0.4191 4.43038
46 3RY9 1CA 0.0138 0.41437 4.43038
47 5KR7 6X9 0.02882 0.41214 4.43038
48 5TVF CGQ 0.02479 0.41193 4.43038
49 3GN8 DEX 0.01174 0.4114 4.43038
50 2A19 ANP 0.04129 0.40392 4.43038
51 4P8O 883 0.04938 0.40329 4.43038
52 4XBT FLC 0.007653 0.42658 4.51613
53 4XBT 3ZQ 0.008047 0.42554 4.51613
54 5VRH OLB 0.01313 0.44163 5.06329
55 4ZTD ALA GLY ALA GLY ALA 0.02586 0.42181 5.06329
56 2AXR ABL 0.03841 0.40904 5.06329
57 1NF8 BOG 0.00543 0.46998 5.6962
58 4FFG 0U8 0.00272 0.45345 5.6962
59 4YGF AZM 0.009028 0.41982 5.6962
60 1QFT HSM 0.01867 0.4113 5.6962
61 1GEG GLC 0.0264 0.41005 5.6962
62 5LX9 OLB 0.02578 0.40766 5.6962
63 5LWY OLB 0.03134 0.4034 5.6962
64 4WOE ADP 0.00004046 0.58083 6.32911
65 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.008592 0.45792 6.32911
66 5KDX GAL TNR 0.04541 0.41184 6.32911
67 4QJP V1F 0.006448 0.4114 6.32911
68 4RLT FSE 0.02573 0.41111 6.32911
69 5CJF 520 0.004072 0.45183 6.96203
70 4BG4 ADP 0.002457 0.45003 6.96203
71 1OFL NGK GCD 0.01271 0.43278 6.96203
72 5J3Z 6FQ 0.02571 0.42405 6.96203
73 4DK7 0KS 0.01391 0.41104 6.96203
74 3WDX BGC BGC GLC 0.01345 0.40869 6.96203
75 2WKQ FMN 0.01701 0.40695 6.96203
76 3WDX BGC BGC BGC 0.02196 0.40174 6.96203
77 4ZU4 4TG 0.0003395 0.48613 7.43243
78 1EPB REA 0.0005899 0.48412 7.59494
79 4MG8 27J 0.007692 0.43383 7.59494
80 4H6B 10X 0.01089 0.43016 7.59494
81 4TUZ 36J 0.01499 0.42309 7.59494
82 4MGD 27N 0.01639 0.41749 7.59494
83 2XN5 FUN 0.02826 0.41259 7.59494
84 5U98 1KX 0.002815 0.41025 7.59494
85 4H6B 10Y 0.03876 0.40537 7.59494
86 1LFO OLA 0.01171 0.41454 7.8125
87 4D4U FUC GAL NDG FUC 0.01131 0.43336 8.22785
88 4ITH RCM 0.004738 0.42615 8.22785
89 1O68 KIV 0.04789 0.40776 8.22785
90 2Y69 CHD 0.02869 0.4209 8.24742
91 5HUA FK5 0.04056 0.40792 8.69565
92 5XLY C2E 0.01112 0.41884 8.86076
93 5H9Q TD2 0.005354 0.41279 9.03226
94 2WA4 069 0.003928 0.45262 9.49367
95 1TMX HGX 0.005032 0.42497 9.49367
96 5E89 TD2 0.001409 0.46581 10.0719
97 4RSE PLM 0.00458 0.43011 10.1266
98 4JH6 FCN 0.03512 0.4113 10.1449
99 3P7N FMN 0.01822 0.40555 10.7595
100 5FS0 5JC 0.04742 0.40425 10.7595
101 3T50 FMN 0.0215 0.40217 10.9375
102 1N9L FMN 0.01199 0.41406 11.0092
103 5OCA 9QZ 0.004003 0.46879 11.3924
104 3K3K A8S 0.01307 0.40926 11.3924
105 1Z03 OCH 0.03713 0.41389 12.0253
106 5ML3 DL3 0.0008525 0.40826 12.0805
107 2CJU PHX 0.03635 0.41216 12.3894
108 3PFG TLO 0.002225 0.4006 12.6582
109 4U0W 16G 0.009633 0.42182 13.2911
110 1I7M CG 0.02043 0.42395 13.4328
111 5FUI APY 0.00008776 0.56149 13.6364
112 2G50 PYR 0.006599 0.45146 13.9241
113 2ZBA ZBA 0.02824 0.40568 13.9241
114 5DG2 GAL GLC 0.007554 0.4191 14.0741
115 4YSX E23 0.006389 0.45578 14.1026
116 4Z28 BTN 0.03739 0.40619 14.1791
117 2PR5 FMN 0.01106 0.41571 14.3939
118 4UCC ZKW 0.01878 0.44017 14.557
119 3ZJX BOG 0.0007001 0.51556 16.4557
120 4HBM 0Y7 0.0162 0.41431 18.3333
121 2Q8C AKG 0.01114 0.44272 18.9873
122 5LY2 OGA 0.02948 0.42167 18.9873
123 4DS8 A8S 0.02023 0.41292 18.9873
124 5HCN DAO 0.01765 0.43168 20.2532
125 4WT2 3UD 0.003756 0.41307 20.9524
126 5FWE OGA 0.01278 0.43895 33.3333
Pocket No.: 2; Query (leader) PDB : 3E85; Ligand: BSU; 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: 3e85.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3E85; Ligand: BSU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3e85.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3E85; Ligand: BSU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3e85.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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