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Receptor
PDB id Resolution Class Description Source Keywords
2P1O 1.9 Å NON-ENZYME: OTHER MECHANISM OF AUXIN PERCEPTION BY THE TIR1 UBIQUITIN LIGASE ARABIDOPSIS THALIANA F-BOX LEUCINE RICH REPEAT SIGNALING PROTEIN
Ref.: MECHANISM OF AUXIN PERCEPTION BY THE TIR1 UBIQUITIN LIGASE NATURE V. 446 640 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHP B:701;
Valid;
none;
submit data
660.035 C6 H18 O24 P6 C1(C(...
NLA B:801;
Valid;
none;
submit data
186.207 C12 H10 O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P1O 1.9 Å NON-ENZYME: OTHER MECHANISM OF AUXIN PERCEPTION BY THE TIR1 UBIQUITIN LIGASE ARABIDOPSIS THALIANA F-BOX LEUCINE RICH REPEAT SIGNALING PROTEIN
Ref.: MECHANISM OF AUXIN PERCEPTION BY THE TIR1 UBIQUITIN LIGASE NATURE V. 446 640 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2P1O - NLA C12 H10 O2 c1ccc2c(c1....
2 2P1N - IHP C6 H18 O24 P6 C1(C(C(C(C....
3 2P1Q - IHP C6 H18 O24 P6 C1(C(C(C(C....
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 2P1O - NLA C12 H10 O2 c1ccc2c(c1....
2 2P1N - IHP C6 H18 O24 P6 C1(C(C(C(C....
3 2P1Q - IHP C6 H18 O24 P6 C1(C(C(C(C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2P1O - NLA C12 H10 O2 c1ccc2c(c1....
2 2P1N - IHP C6 H18 O24 P6 C1(C(C(C(C....
3 2P1Q - IHP C6 H18 O24 P6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHP; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 IHP 1 1
2 I6P 1 1
3 5IP 0.652174 1
4 5MY 0.652174 1
5 IP5 0.652174 1
6 I5P 0.652174 1
7 I0P 0.608696 0.965517
8 I8P 0.6 0.965517
9 2YN 0.6 0.965517
10 I7P 0.6 0.965517
11 I4P 0.571429 1
12 5A2 0.555556 0.8
13 4WZ 0.555556 0.8
14 5A3 0.555556 0.8
15 2IP 0.545455 0.933333
16 4IP 0.538462 0.965517
17 ITP 0.52 0.933333
18 IP2 0.5 0.933333
19 I3S 0.481481 0.933333
20 I3P 0.481481 0.933333
21 I4D 0.48 0.9
22 0EJ 0.46875 0.823529
23 4WY 0.454545 0.8
Ligand no: 2; Ligand: NLA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NLA 1 1
2 3N4 0.413793 0.708333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2P1O; Ligand: IHP; Similar sites found with APoc: 67
This union binding pocket(no: 1) in the query (biounit: 2p1o.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 6GNO XDI 2.22222
3 5LDQ NAP 2.82486
4 6FA4 D1W 2.89017
5 2HK9 SKM 3.63636
6 1VKF CIT 3.7234
7 3PA8 621 3.75
8 1UYY BGC BGC 3.81679
9 3DOO SKM 3.97112
10 6AYU F6P 4.32277
11 4RF7 ARG 4.375
12 2QK4 ATP 4.375
13 5GLT BGC GAL NAG GAL 4.375
14 2VL1 GLY GLY 4.375
15 4CM9 YGL 5
16 3THR C2F 5.11945
17 5AIP 4HP 5.47945
18 1TW4 CHD 5.6
19 4WOE ADP 5.625
20 3ITA AIC 5.625
21 1GVF PGH 5.625
22 1ZNY GDP 5.7971
23 2AZ3 CDP 6.09756
24 3HCH RSM 6.16438
25 2F2H XTG 6.25
26 5EXK MET 6.64653
27 6E1Q CFA 6.875
28 3OKA GDD 7.08661
29 5H9Q TD2 7.09677
30 3JQ3 ADP 7.5
31 1MFI FHC 7.89474
32 3SAO DBH 8.125
33 2EB5 OXL 8.125
34 2GQS C2R 8.125
35 2P5B OGA 8.52273
36 5TV6 PML 8.75
37 4RD0 GDP 8.75
38 2AGC DAO 9.375
39 4Q86 AMP 9.375
40 1OFL NGK GCD 9.77131
41 1QKQ MAN 9.85915
42 2YKL NLD 10
43 4UMJ BFQ 10.1351
44 1LSH PLD 10.625
45 3BP1 GUN 11.0345
46 3B2Q AES 11.25
47 3IWD M2T 11.2903
48 2ZBA ZBA 11.875
49 5FUI APY 12.1212
50 4FE2 AIR 12.5
51 3NZ1 3NY 13.75
52 5L2R MLA 14.375
53 3KJQ B94 14.7368
54 3CBC DBS 15
55 5HWV MBN 16.1538
56 3DZ6 PUT 16.4179
57 1I7M CG 16.4179
58 3TTZ 07N 17.1717
59 5KJW 53C 18.125
60 2Z3U CRR 19.375
61 1I0B PEL 20
62 5TVF CGQ 21.25
63 3N7S 3N7 21.7391
64 1W8S FBP 21.875
65 6EWZ APC 22.3629
66 1RJW ETF 38.4615
67 4PSR FUL 38.4615
Pocket No.: 2; Query (leader) PDB : 2P1O; Ligand: NLA; Similar sites found with APoc: 67
This union binding pocket(no: 2) in the query (biounit: 2p1o.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
2 6GNO XDI 2.22222
3 5LDQ NAP 2.82486
4 6FA4 D1W 2.89017
5 2HK9 SKM 3.63636
6 1VKF CIT 3.7234
7 3PA8 621 3.75
8 1UYY BGC BGC 3.81679
9 3DOO SKM 3.97112
10 6AYU F6P 4.32277
11 4RF7 ARG 4.375
12 2QK4 ATP 4.375
13 5GLT BGC GAL NAG GAL 4.375
14 2VL1 GLY GLY 4.375
15 4CM9 YGL 5
16 3THR C2F 5.11945
17 5AIP 4HP 5.47945
18 1TW4 CHD 5.6
19 4WOE ADP 5.625
20 3ITA AIC 5.625
21 1GVF PGH 5.625
22 1ZNY GDP 5.7971
23 2AZ3 CDP 6.09756
24 3HCH RSM 6.16438
25 2F2H XTG 6.25
26 5EXK MET 6.64653
27 6E1Q CFA 6.875
28 3OKA GDD 7.08661
29 5H9Q TD2 7.09677
30 3JQ3 ADP 7.5
31 1MFI FHC 7.89474
32 3SAO DBH 8.125
33 2EB5 OXL 8.125
34 2GQS C2R 8.125
35 2P5B OGA 8.52273
36 5TV6 PML 8.75
37 4RD0 GDP 8.75
38 2AGC DAO 9.375
39 4Q86 AMP 9.375
40 1OFL NGK GCD 9.77131
41 1QKQ MAN 9.85915
42 2YKL NLD 10
43 4UMJ BFQ 10.1351
44 1LSH PLD 10.625
45 3BP1 GUN 11.0345
46 3B2Q AES 11.25
47 3IWD M2T 11.2903
48 2ZBA ZBA 11.875
49 5FUI APY 12.1212
50 4FE2 AIR 12.5
51 3NZ1 3NY 13.75
52 5L2R MLA 14.375
53 3KJQ B94 14.7368
54 3CBC DBS 15
55 5HWV MBN 16.1538
56 3DZ6 PUT 16.4179
57 1I7M CG 16.4179
58 3TTZ 07N 17.1717
59 5KJW 53C 18.125
60 2Z3U CRR 19.375
61 1I0B PEL 20
62 5TVF CGQ 21.25
63 3N7S 3N7 21.7391
64 1W8S FBP 21.875
65 6EWZ APC 22.3629
66 1RJW ETF 38.4615
67 4PSR FUL 38.4615
Pocket No.: 3; Query (leader) PDB : 2P1O; Ligand: IHP; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 2p1o.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2EV9 SKM 2.6616
2 1F9V ADP 7.5
3 5KR7 6X9 8.75
4 4MPO AMP 17.6471
Pocket No.: 4; Query (leader) PDB : 2P1O; Ligand: IHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2p1o.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2P1O; Ligand: NLA; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 2p1o.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2EV9 SKM 2.6616
2 1F9V ADP 7.5
3 5KR7 6X9 8.75
4 4MPO AMP 17.6471
Pocket No.: 6; Query (leader) PDB : 2P1O; Ligand: NLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2p1o.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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