Receptor
PDB id Resolution Class Description Source Keywords
5KDX 2.4 Å EC: 7.-.-.- IMPA METALLOPEPTIDASE IN COMPLEX WITH T-ANTIGEN PSEUDOMONAS AERUGINOSA (STRAIN ATCC 15PAO1 / 1C / PRS 101 / LMG 12228) O-GLYCOPEPTIDASE PF13402/M60-LIKE HYDROLASE CORE-1 O-GLYC
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
EDO A:1007;
B:1016;
B:1014;
B:1010;
B:1007;
B:1011;
A:1009;
A:1020;
A:1008;
B:1008;
A:1017;
A:1016;
B:1017;
B:1009;
A:1010;
A:1015;
A:1014;
A:1018;
B:1015;
A:1019;
A:1013;
A:1012;
B:1013;
A:1011;
A:1006;
B:1012;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GAL TNR B:1001;
A:1001;
Valid;
Valid;
none;
none;
submit data
470.428 n/a O=C([...
PO4 A:1004;
B:1005;
B:1003;
A:1003;
B:1004;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
ZN B:1006;
A:1005;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KDX 2.4 Å EC: 7.-.-.- IMPA METALLOPEPTIDASE IN COMPLEX WITH T-ANTIGEN PSEUDOMONAS AERUGINOSA (STRAIN ATCC 15PAO1 / 1C / PRS 101 / LMG 12228) O-GLYCOPEPTIDASE PF13402/M60-LIKE HYDROLASE CORE-1 O-GLYC
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 293 families.
1 5KDX - GAL TNR 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 250 families.
1 5KDX - GAL TNR 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 204 families.
1 5KDX - GAL TNR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL TNR; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G SER GAL 1 1
2 NGA SER GAL 1 1
3 GAL SER A2G 1 1
4 GAL TNR 1 1
5 GAL A2G THR 0.636364 0.924528
6 GAL MGC 0.623188 0.849057
7 GAL A2G MBN 0.607595 0.849057
8 GAL TNR SIA 0.59596 0.927273
9 SER MAN 0.58209 0.803922
10 A2G GAL 0.555556 0.882353
11 GAL NGA 0.555556 0.882353
12 GAL A2G 0.555556 0.882353
13 THR NGA GAL NAG 0.549451 0.924528
14 GAL A2G NPO 0.511628 0.727273
15 NPO A2G GAL 0.511628 0.727273
16 BGC GAL NAG GAL 0.505882 0.882353
17 GAL NAG GAL GLC 0.505882 0.882353
18 CG3 A2G GAL 0.494382 0.716418
19 NAG A2G GAL 0.488372 0.903846
20 GAL NGA GLA BGC GAL 0.483146 0.882353
21 GAL NDG 0.473684 0.882353
22 NLC 0.473684 0.882353
23 8VZ 0.473684 0.886792
24 NDG GAL 0.473684 0.882353
25 MAN BMA NAG 0.457831 0.882353
26 GLA GAL NAG 0.457831 0.882353
27 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.447917 0.903846
28 1GN ACY GAL ACY 1GN BGC GAL BGC 0.447917 0.903846
29 MAG FUC GAL 0.447059 0.833333
30 3YW 0.441558 0.843137
31 GAL LOG 0.439024 0.754098
32 NAG BMA 0.4375 0.867925
33 GAL NOK 0.433735 0.875
34 GAL NDG FUC 0.430233 0.865385
35 FUC NDG GAL 0.430233 0.865385
36 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.43 0.87037
37 GAL SIA NGA GAL 0.427273 0.907407
38 GAL NGA GAL SIA 0.427273 0.890909
39 SIA GAL NGA GAL 0.427273 0.907407
40 NAG BDP NAG BDP NAG BDP NAG 0.427083 0.90566
41 GAL NAG GAL 0.426966 0.884615
42 TNR 0.425 0.941176
43 GAL NGA A2G 0.423529 0.903846
44 NAG BDP 0.421687 0.884615
45 GLA NAG GAL FUC 0.419355 0.865385
46 GAL NAG GAL FUC 0.419355 0.865385
47 NAG GAL GAL NAG 0.417582 0.903846
48 GAL NAG GAL NAG GAL NAG 0.417582 0.886792
49 NAG GAL GAL NAG GAL 0.417582 0.903846
50 GAL GC2 0.41573 0.727273
51 GAL NAG MAN 0.413793 0.882353
52 LAT NAG GAL 0.413043 0.882353
53 GLC GAL NAG GAL 0.413043 0.882353
54 GAL BGC NAG GAL 0.411111 0.882353
55 GAL MBG 0.405405 0.653846
56 MDM 0.405405 0.653846
57 M13 0.405405 0.653846
58 FUC NAG GAL 0.404494 0.87037
59 DR3 0.404494 0.865385
60 GLA GAL NAG FUC GAL GLC 0.403846 0.865385
61 NAG NGA 0.402439 0.903846
62 NAG A2G 0.402439 0.903846
63 GAL NAG GAL BGC 0.4 0.884615
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KDX; Ligand: GAL TNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5kdx.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback