Receptor
PDB id Resolution Class Description Source Keywords
1OHE 2.2 Å EC: 3.-.-.- STRUCTURE OF CDC14B PHOSPHATASE WITH A PEPTIDE LIGAND HOMO SAPIENS PROTEIN PHOSPHATASE CELL CYCLE HYDROLASE
Ref.: THE STRUCTURE OF THE CELL CYCLE PROTEIN CDC14 REVEALS A PROLINE-DIRECTED PROTEIN PHOSPHATASE EMBO J. V. 22 3524 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE ALA SEP PRO B:0;
Valid;
none;
submit data
393.289 n/a [P+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OHE 2.2 Å EC: 3.-.-.- STRUCTURE OF CDC14B PHOSPHATASE WITH A PEPTIDE LIGAND HOMO SAPIENS PROTEIN PHOSPHATASE CELL CYCLE HYDROLASE
Ref.: THE STRUCTURE OF THE CELL CYCLE PROTEIN CDC14 REVEALS A PROLINE-DIRECTED PROTEIN PHOSPHATASE EMBO J. V. 22 3524 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1OHE - ACE ALA SEP PRO n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 1OHE - ACE ALA SEP PRO n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 1OHE - ACE ALA SEP PRO n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE ALA SEP PRO; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ALA SEP PRO 1 1
2 ARG ALA ILE SEP LEU PRO 0.522727 0.901639
3 ARG ARG GLN ARG SEP ALA PRO 0.445545 0.859375
4 PRO SER TYR SEP PRO THR SEP PRO SER 0.434343 0.84127
5 SER TYR SER PRO THR SEP PRO SER 0.434343 0.828125
6 ACE MET GLN SER SEP PRO LEU NH2 0.429825 0.771429
7 TYR SEP PRO THR SEP PRO SER 0.422018 0.794118
8 ACE ALA PRO ALA 0.405063 0.736842
9 N7P THR SEP PRO SER TYR SET 0.4 0.760563
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OHE; Ligand: ACE ALA SEP PRO; Similar sites found: 42
This union binding pocket(no: 1) in the query (biounit: 1ohe.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IJP 1EH 0.01627 0.41187 1.43678
2 4L3L 5FI 0.0214 0.4173 1.64474
3 2PA4 UPG 0.04334 0.40202 2.47678
4 154L NAG NAG NAG 0.02089 0.40454 2.7027
5 1ZSQ PIB 0.00005615 0.53999 2.87356
6 2WZF BGC 0.01074 0.40602 2.87356
7 1RM4 NDP 0.03516 0.40327 3.2641
8 3PNL ADP 0.01285 0.42049 3.44828
9 5X20 NAD 0.03639 0.40117 3.52564
10 4RKK GLC GLC GLC GLC GLC GLC 0.00434 0.433 3.91566
11 1JT2 FER 0.01325 0.41422 4.10448
12 4J7U NAP 0.0324 0.42071 4.16667
13 4J7U YTZ 0.0324 0.42071 4.16667
14 5A89 ADP 0.03215 0.42004 4.48718
15 5A89 FMN 0.03215 0.42004 4.48718
16 3QCJ NX4 0.01589 0.41875 4.51613
17 4RSL FAD 0.04691 0.4064 4.88506
18 4J1Q NDP 0.03288 0.40609 4.88506
19 2QHD DAO 0.02391 0.43212 5.7377
20 2F5Z FAD 0.04772 0.4121 5.74713
21 4LRZ ADP 0.01541 0.41131 5.97484
22 2H04 4UN 0.000001633 0.61025 6.38978
23 5KQG 6VX 0.0001707 0.46696 6.74157
24 3ZEI AWH 0.04226 0.40145 7.18391
25 5IXJ THR 0.042 0.40276 8.04598
26 3AD8 NAD 0.03191 0.41361 8.08081
27 3O2Q PRO THR SEP PRO SER TYR 0.001467 0.46331 8.33333
28 5XDT MB3 0.03743 0.40878 8.44156
29 2X2T GAL NGA 0.0102 0.42196 8.49673
30 2CJZ PTR 0.0000003578 0.64938 8.52459
31 1D1Q 4NP 0.000103 0.51034 9.31677
32 3LN9 FLC 0.003167 0.43774 9.35252
33 4GE6 B26 0.00004722 0.40743 9.55414
34 1PA9 CSN 0.0000007615 0.53305 10.2113
35 4J51 N75 0.00005639 0.48422 10.4294
36 1U26 IHS 0.000002241 0.51367 11.276
37 4KYQ FLC 0.00003971 0.45139 12.5
38 3O5X JZG 0.000008428 0.50385 14.1304
39 3F81 STT 0.000001347 0.62327 14.2077
40 3RGQ 5P5 0.00003922 0.52857 33.3333
41 4WOH 4NP 0.0000004875 0.50352 40.9639
42 2IMG MLT 0.000001011 0.62151 43.7086
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