Receptor
PDB id Resolution Class Description Source Keywords
5KD8 2.3 Å EC: 7.-.-.- BT_4244 METALLOPEPTIDASE IN COMPLEX WITH TN ANTIGEN. BACTEROIDES THETAIOTAOMICRON (STRAIN A/ DSM 2079 / NCTC 10582 / E50 / VPI-5482) O-GLYCOPEPTIDASE PF13402/M60-LIKE O-GLYCAN HYDROLASE. HY
Ref.: RECOGNITION OF PROTEIN-LINKED GLYCANS AS A DETERMIN PEPTIDASE ACTIVITY. PROC. NATL. ACAD. SCI. V. 114 E679 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:906;
A:905;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
NI A:904;
A:903;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
TNR A:902;
Valid;
none;
submit data
308.285 C11 H20 N2 O8 CC(=O...
ZN A:901;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KD8 2.3 Å EC: 7.-.-.- BT_4244 METALLOPEPTIDASE IN COMPLEX WITH TN ANTIGEN. BACTEROIDES THETAIOTAOMICRON (STRAIN A/ DSM 2079 / NCTC 10582 / E50 / VPI-5482) O-GLYCOPEPTIDASE PF13402/M60-LIKE O-GLYCAN HYDROLASE. HY
Ref.: RECOGNITION OF PROTEIN-LINKED GLYCANS AS A DETERMIN PEPTIDASE ACTIVITY. PROC. NATL. ACAD. SCI. V. 114 E679 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5KD8 - TNR C11 H20 N2 O8 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5KD8 - TNR C11 H20 N2 O8 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5KD8 - TNR C11 H20 N2 O8 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TNR; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 TNR 1 1
2 3YW 0.683333 0.895833
3 SER A2G 0.650794 0.979592
4 2F8 0.559322 0.84
5 MAG 0.559322 0.84
6 GN1 0.548387 0.741379
7 NG1 0.548387 0.741379
8 GAL NAG 0.536232 0.86
9 A2G SER GAL 0.513158 0.941176
10 MAN NAG 0.492754 0.86
11 NDG NAG 0.486111 0.865385
12 A2G NAG 0.478873 0.882353
13 MBG NAG 0.478873 0.826923
14 A2G GAL NAG 0.475 0.882353
15 MBG A2G 0.472222 0.826923
16 GYU 0.464789 0.854545
17 57S 0.461538 0.762712
18 ACE SER SER VAL GLY A2G 0.460674 0.87037
19 GDL NAG 0.458333 0.882353
20 NM9 NAG 0.45 0.867925
21 HD4 0.448718 0.762712
22 MA8 0.445946 0.901961
23 GAL NGA 0.445946 0.843137
24 GAL NGA A2G 0.441558 0.882353
25 Z3Q NGA 0.439024 0.783333
26 NGA THR GAL NAG 0.434783 0.867925
27 NAG NAG NAG NAG NAG NAG NAG NAG 0.434211 0.865385
28 NAG NAG NAG NAG NAG NAG 0.434211 0.865385
29 NAG NAG NAG NAG NAG 0.434211 0.865385
30 NDG NAG NAG NAG NAG 0.434211 0.865385
31 LEC 0.428571 0.676923
32 6ZC 0.428571 0.676923
33 HSQ 0.42623 0.833333
34 A2G 0.42623 0.833333
35 NDG 0.42623 0.833333
36 BM3 0.42623 0.833333
37 NAG 0.42623 0.833333
38 NGA 0.42623 0.833333
39 MMA MAN NAG 0.425 0.826923
40 AMU NAG 0.421687 0.849057
41 BMA MAN NAG 0.419753 0.86
42 GAL FUC A2G 0.419753 0.843137
43 NAG NGO 0.419753 0.803571
44 BGC GAL NGA 0.417722 0.86
45 GYT 0.417722 0.783333
46 3QL 0.417722 0.818182
47 SNG 0.415385 0.769231
48 A2G THR GAL NAG 0.408602 0.867925
49 AH0 NAG 0.404762 0.789474
50 AMV NAG AMU NAG 0.4 0.833333
51 RWI 0.4 0.733333
Similar Ligands (3D)
Ligand no: 1; Ligand: TNR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback