Receptor
PDB id Resolution Class Description Source Keywords
6SSG 1.47 Å NON-ENZYME: OTHER TRANSAMINASE WITH DCS BOUND STREPTOMYCES KANIHARAENSIS DCS BOUND TRANSFERASE
Ref.: PMP-DIKETOPIPERAZINE ADDUCTS FORM AT THE ACTIVE SIT PLP DEPENDENT ENZYME INVOLVED IN FORMYCIN BIOSYNTHE CHEM.COMMUN.(CAMB.) V. 55 14502 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:504;
B:503;
A:502;
B:502;
B:504;
A:503;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
LUK B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
433.31 C14 H20 N5 O9 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SSG 1.47 Å NON-ENZYME: OTHER TRANSAMINASE WITH DCS BOUND STREPTOMYCES KANIHARAENSIS DCS BOUND TRANSFERASE
Ref.: PMP-DIKETOPIPERAZINE ADDUCTS FORM AT THE ACTIVE SIT PLP DEPENDENT ENZYME INVOLVED IN FORMYCIN BIOSYNTHE CHEM.COMMUN.(CAMB.) V. 55 14502 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6SSG - LUK C14 H20 N5 O9 P Cc1c(c(c(c....
2 6SSF - LUH C14 H20 N5 O9 P Cc1c(c(c(c....
3 6SSE - PMP C8 H13 N2 O5 P Cc1c(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 1331 families.
1 6SSG - LUK C14 H20 N5 O9 P Cc1c(c(c(c....
2 6SSF - LUH C14 H20 N5 O9 P Cc1c(c(c(c....
3 6SSE - PMP C8 H13 N2 O5 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 1144 families.
1 6SSG - LUK C14 H20 N5 O9 P Cc1c(c(c(c....
2 6SSF - LUH C14 H20 N5 O9 P Cc1c(c(c(c....
3 6SSE - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LUK; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 LUH 1 1
2 LUK 1 1
3 MPM 0.5 0.7
4 HCP 0.488372 0.671233
5 EPC 0.487805 0.705882
6 Z98 0.483146 0.8
7 EXT 0.481928 0.714286
8 PL6 0.47191 0.728571
9 P3D 0.471264 0.712329
10 0JO 0.470588 0.694444
11 4LM 0.470588 0.680556
12 F0G 0.465116 0.710145
13 PLP 0.460526 0.686567
14 KOU 0.45977 0.768116
15 FEV 0.45977 0.671233
16 5DK 0.458333 0.72973
17 EQJ 0.458333 0.72973
18 6DF 0.455556 0.695652
19 EVM 0.454545 0.757143
20 PZP 0.454545 0.716418
21 O1G 0.453608 0.75
22 FEJ 0.450549 0.728571
23 PL5 0.442105 0.771429
24 PUS 0.442105 0.859155
25 AN7 0.418605 0.642857
26 P89 0.418367 0.653846
27 L7N 0.414894 0.890411
28 FOO 0.413793 0.724638
29 P70 0.412371 0.73913
Similar Ligands (3D)
Ligand no: 1; Ligand: LUK; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SSG; Ligand: LUK; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6ssg.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4UOX PLP 34.1981
2 4UOX PLP 34.1981
3 4AOA IK2 48.8208
Pocket No.: 2; Query (leader) PDB : 6SSG; Ligand: LUK; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 6ssg.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4UOX PLP 34.1981
2 4UOX PLP 34.1981
3 4AOA IK2 48.8208
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