Receptor
PDB id Resolution Class Description Source Keywords
5W71 2.1 Å EC: 2.6.1.- X-RAY STRUCTURE OF BTRR FROM BACILLUS CIRCULANS IN THE PRESE 2-DOS EXTERNAL ALDIMINE BACILLUS CIRCULANS BUTIROSIN AMINOTRANSFERASE AMINOGLYCOSIDE AMINOCYCLITOL ANTIBIOTIC 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
CL B:502;
Invalid;
none;
submit data
35.453 Cl [Cl-]
PLP A:501;
Valid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
9YM B:501;
Valid;
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
5W71 2.1 Å EC: 2.6.1.- X-RAY STRUCTURE OF BTRR FROM BACILLUS CIRCULANS IN THE PRESE 2-DOS EXTERNAL ALDIMINE BACILLUS CIRCULANS BUTIROSIN AMINOTRANSFERASE AMINOGLYCOSIDE AMINOCYCLITOL ANTIBIOTIC TRANSFERASE
Ref.: THE STRUCTURE OF RBMB FROM STREPTOMYCES RIBOSIDIFIC AMINOTRANSFERASE INVOLVED IN THE BIOSYNTHESIS OF RIBOSTAMYCIN. PROTEIN SCI. V. 26 1886 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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....
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: PLP; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP 1 1
2 PZP 0.729167 0.843137
3 EXT 0.62069 0.8
4 AN7 0.603448 0.918367
5 EPC 0.603448 0.862745
6 FOO 0.59322 0.849057
7 PLR 0.58 0.895833
8 4LM 0.57377 0.818182
9 0JO 0.57377 0.803571
10 P3D 0.571429 0.704918
11 F0G 0.564516 0.865385
12 MPM 0.564516 0.814815
13 FEV 0.555556 0.803571
14 KOU 0.555556 0.836364
15 HCP 0.546875 0.77193
16 EVM 0.546875 0.821429
17 6DF 0.545455 0.811321
18 PXL 0.541667 0.659574
19 Z98 0.537313 0.75
20 PXP 0.537037 0.862745
21 PMP 0.527273 0.767857
22 P0P 0.527273 0.916667
23 PL6 0.522388 0.818182
24 GT1 0.517857 0.830189
25 PFM 0.514706 0.803571
26 FEJ 0.514706 0.851852
27 LLP 0.5 0.737705
28 P70 0.5 0.833333
29 PUS 0.479452 0.707692
30 PL5 0.479452 0.775862
31 MPL 0.473684 0.836364
32 PLG 0.46875 0.75
33 IN5 0.46875 0.758621
34 P89 0.466667 0.714286
35 PLP PUT 0.463768 0.672131
36 EQJ 0.460526 0.725806
37 5DK 0.460526 0.725806
38 O1G 0.454545 0.75
39 PLT 0.439024 0.762712
40 X04 0.431034 0.851852
41 PDD 0.426471 0.762712
42 PP3 0.426471 0.762712
43 PDA 0.426471 0.762712
44 P1T 0.426471 0.714286
45 33P 0.42029 0.745763
46 IK2 0.42029 0.714286
47 TLP 0.414286 0.793103
48 2BK 0.414286 0.793103
49 PLS 0.414286 0.779661
50 2BO 0.414286 0.793103
51 5PA 0.414286 0.714286
52 PMH 0.414286 0.619718
53 9TD 0.413793 0.671642
54 PLP 999 0.410959 0.796296
55 PPD 0.408451 0.75
56 C6P 0.408451 0.75
57 QLP 0.405405 0.681818
58 MP5 0.403509 0.666667
59 PLA 0.402778 0.703125
60 PY5 0.402778 0.703125
61 HEY 0.4 0.703125
62 PLP PHE 0.4 0.732143
Ligand no: 2; 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 : 5W71; Ligand: PLP; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 5w71.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5K8B PDG 34.4913
2 1O69 X04 36.2944
3 3NUB UD0 38.4401
4 4K2M O1G 39.5455
5 3FRK TQP 41.2869
6 5U23 TQP 43.9791
7 3DR4 G4M 48.0818
Pocket No.: 2; Query (leader) PDB : 5W71; Ligand: 9YM; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 5w71.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 5K8B PDG 34.4913
2 4K2M O1G 39.5455
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