Receptor
PDB id Resolution Class Description Source Keywords
5W70 2.1 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF RBMB FROM STREPTOMYCES RIBOSIDIFICUS STREPTOMYCES RIBOSIDIFICUS RIBOSTAMYCIN AMINOTRANSFERASE AMINOGLYCOSIDE AMINOCYCLITOANTIBIOTIC TRANSFERASE
Ref.: THE STRUCTURE OF RBMB FROM STREPTOMYCES RIBOSIDIFIC AMINOTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF RIBOSTAMYCIN. PROTEIN SCI. V. 26 1886 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:502;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
9YM A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
393.329 C14 H24 N3 O8 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W70 2.1 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF RBMB FROM STREPTOMYCES RIBOSIDIFICUS STREPTOMYCES RIBOSIDIFICUS RIBOSTAMYCIN AMINOTRANSFERASE AMINOGLYCOSIDE AMINOCYCLITOANTIBIOTIC TRANSFERASE
Ref.: THE STRUCTURE OF RBMB FROM STREPTOMYCES RIBOSIDIFIC AMINOTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF RIBOSTAMYCIN. PROTEIN SCI. V. 26 1886 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5W70 - 9YM C14 H24 N3 O8 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5W70 - 9YM C14 H24 N3 O8 P Cc1c(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 2C81 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 5W71 - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 5W70 - 9YM C14 H24 N3 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9YM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 9YM 1 1
2 DCS 0.535714 0.797297
3 5PA 0.512195 0.835821
4 PLG 0.506329 0.818182
5 IN5 0.506329 0.828125
6 PDD 0.506173 0.80303
7 PDA 0.506173 0.80303
8 PP3 0.506173 0.80303
9 33P 0.5 0.787879
10 PLA 0.5 0.797101
11 PMP 0.493151 0.868852
12 P1T 0.487805 0.808824
13 PMG 0.482759 0.774648
14 IK2 0.481928 0.808824
15 PXP 0.479452 0.803279
16 TLP 0.47619 0.830769
17 PMH 0.47619 0.780822
18 2BK 0.47619 0.830769
19 2BO 0.47619 0.830769
20 PLS 0.47619 0.875
21 EA5 0.47191 0.811594
22 7TS 0.471264 0.74026
23 ILP 0.471264 0.779412
24 PPD 0.470588 0.846154
25 C6P 0.470588 0.846154
26 GT1 0.466667 0.723077
27 QLP 0.465909 0.8
28 PL2 0.465909 0.797101
29 PY5 0.465116 0.797101
30 DOW 0.462264 0.924242
31 7B9 0.457447 0.802817
32 RW2 0.456522 0.785714
33 ORX 0.455556 0.835821
34 PSZ 0.455556 0.736111
35 CBA 0.454545 0.820895
36 7XF 0.454545 0.820895
37 PGU 0.454545 0.820895
38 PDG 0.454545 0.820895
39 PL8 0.451613 0.77027
40 PE1 0.450549 0.835821
41 LPI 0.449438 0.763889
42 HEY 0.444444 0.771429
43 PY6 0.444444 0.774648
44 76U 0.444444 0.782609
45 PL4 0.44086 0.835821
46 N5F 0.43956 0.808824
47 3LM 0.43956 0.726027
48 PXG 0.425532 0.818182
49 KAM 0.416667 0.757143
50 AQ3 0.414141 0.850746
51 2QR 0.409449 0.75
52 LCS 0.402174 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W70; Ligand: 9YM; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5w70.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3DR4 G4M 48.0818
Pocket No.: 2; Query (leader) PDB : 5W70; Ligand: 9YM; 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: 5w70.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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