Receptor
PDB id Resolution Class Description Source Keywords
2DJH 1.9 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF THE CARBOXY-TERMINAL RIBONUCLEASE DOMAIN OF COLICIN E5 ESCHERICHIA COLI ALPHA/BETA PROTEIN HYDROLASE
Ref.: STRUCTURAL BASIS FOR SEQUENCE-DEPENDENT RECOGNITION OF COLICIN E5 TRNASE BY MIMICKING THE MRNA-TRNA INTERACTION NUCLEIC ACIDS RES. V. 34 6074 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3PD UM3 A:117;
Valid;
none;
submit data
634.368 n/a [P+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DJH 1.9 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF THE CARBOXY-TERMINAL RIBONUCLEASE DOMAIN OF COLICIN E5 ESCHERICHIA COLI ALPHA/BETA PROTEIN HYDROLASE
Ref.: STRUCTURAL BASIS FOR SEQUENCE-DEPENDENT RECOGNITION OF COLICIN E5 TRNASE BY MIMICKING THE MRNA-TRNA INTERACTION NUCLEIC ACIDS RES. V. 34 6074 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2DJH - 3PD UM3 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 16 families.
1 2DJH - 3PD UM3 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 15 families.
1 2DJH - 3PD UM3 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3PD UM3; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 3PD UM3 1 1
2 DA DU DG DA 0.758929 0.939024
3 DU DU DU DU BRU DG DU 0.722222 0.918605
4 DG DG 0.685185 0.926829
5 DG DT DC 0.666667 0.929412
6 DC DG 0.612903 0.975309
7 DG DA DC DG 0.609929 0.963415
8 DA DC DG DA 0.605634 0.963415
9 DG DC 0.571429 0.939024
10 DC DG DA DC 0.541667 0.939024
11 DU DU DU DU BRU DA DU 0.517483 0.83908
12 DC DG DT DA 0.509434 0.917647
13 CGP 0.507576 0.951219
14 DT DA DC DG 0.503145 0.917647
15 DU DU DU DU BRU DU DU 0.496063 0.755814
16 DGI 0.474138 0.86747
17 DGP 0.473214 0.878049
18 DG 0.473214 0.878049
19 DA DT DA DA 0.465278 0.858824
20 UM3 0.447619 0.8
21 DGT 0.446281 0.86747
22 DT DT DT 0.444444 0.783133
23 U2G 0.437956 0.903614
24 A G U 0.437909 0.926829
25 U G A 0.435065 0.926829
26 DT MA7 DT 0.433333 0.860465
27 G U34 0.42446 0.926829
28 G C 0.41844 0.938272
29 139 0.414286 0.869048
30 DC DC DT DG 0.412214 0.817073
31 PUA 0.410959 0.879518
32 G G G RPC 0.408451 0.9375
33 OMC OMU OMG OMG U 0.405063 0.882353
34 ALF 5GP 0.403226 0.816092
35 UCG 0.4 0.902439
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2DJH; Ligand: 3PD UM3; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 2djh.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K55 H6P 0.02395 0.40147 None
2 2D24 XYS XYS 0.0201 0.40733 3.47826
3 1UPR 4IP 0.04261 0.40267 3.47826
4 4LO2 GAL BGC 0.01283 0.41236 4.34783
5 4OWK NGA 0.01366 0.40464 4.34783
6 1MAI I3P 0.02481 0.40126 4.34783
7 4K6B GLU 0.0272 0.40036 4.34783
8 2C3W GLC GLC GLC GLC 0.01226 0.41824 4.90196
9 2ZQO NGA 0.01211 0.42218 5.21739
10 4GDX GLU 0.02648 0.40061 6.08696
11 1D4D SIN 0.01612 0.41208 6.95652
12 4I4S LAT 0.003136 0.45481 7.82609
13 3BP1 GUN 0.03306 0.41104 9.56522
14 4NZ6 DLY 0.01873 0.41037 10.4348
15 4LJ9 ACP 0.01353 0.4073 10.4348
16 2Y9G LAT 0.01625 0.41729 11.3043
17 2Y9G LBT 0.01625 0.41729 11.3043
18 2H88 TEO 0.02008 0.4029 12.1429
19 3ZGE ASP 0.01899 0.40603 12.1739
20 1ZX5 LFR 0.01646 0.40204 12.1739
21 3EF0 ALF 0.008969 0.42399 13.913
22 4CS9 AMP 0.001395 0.46782 15.6522
23 2UYQ SAM 0.01838 0.40866 15.6522
24 3IWD M2T 0.0144 0.4144 19.1176
25 1PVC ILE SER GLU VAL 0.02997 0.42423 20
26 4JGT PYR 0.01498 0.40915 21.7391
27 3JUT GTQ 0.02696 0.40327 22.6087
28 3A75 GLU 0.01921 0.41063 23.4783
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