-->
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: 81
This union binding pocket(no: 1) in the query (biounit: 5kdx.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.79096
2 4ZW3 4S9 1.01695
3 2ZPA ACO 1.34128
4 4AZJ SEP PLP 1.38889
5 3WQT ANP 1.65289
6 4BXK 1IU 1.74881
7 1XG5 NAP 1.79211
8 5ZM4 9FU 1.96078
9 5IKR ID8 1.99637
10 4DV8 0LX 2.28137
11 5O7E 9NB 2.29008
12 5X5M 7YU 2.31481
13 4KBS PX2 2.32558
14 3NHT U46 2.36486
15 2JAP NDP 2.42915
16 2YCH ATP 2.65252
17 2FV5 541 2.68199
18 5G61 FNY 2.83401
19 1NHZ 486 2.85714
20 4QHP 32Q 2.98851
21 1AUA BOG 3.04054
22 1JF0 CZH 3.07692
23 1UHK CZN 3.14136
24 4TMN 0PK 3.16456
25 5N7O 69Y 3.16742
26 3C88 ARG ARG GLY CYS NH2 3.24074
27 5AE2 FAD 3.49544
28 1QV1 CZH 3.58974
29 2X5W K2B 3.63636
30 2A1L PCW 3.7037
31 2VJ8 HA2 3.76432
32 5IKH 6BW 3.81818
33 3JRS A8S 3.84615
34 1ATL 0QI 3.9604
35 4A62 ANP 4.0625
36 5A8E XTK 4.12698
37 5KAU RHQ 4.24242
38 4PGK Y69 4.5082
39 5NNA BZM 4.51977
40 2Q0D ATP 4.81586
41 1OPK P16 4.84848
42 1MMQ RRS 5.29412
43 2YB9 HA0 5.31609
44 3DG6 MUC 5.44959
45 3H0A 9RA 5.70175
46 2YPO PHE 5.84416
47 6F8B CXH 5.98007
48 3WCA FPS 6.0274
49 3Q2H QHF 6.06061
50 4KX8 L2O VAL VAL ASP 6.1017
51 5OSW AE4 6.17496
52 4OAR 2S0 6.20155
53 4CA5 3EF 6.28183
54 3E85 BSU 6.32911
55 5KDS A2G THR ALA PRO GLY GLY NAG SIA 6.79245
56 5EW9 5VC 7.01107
57 2EVL GAL SPH EIC 7.17703
58 4U0S ADP 7.55814
59 4B52 RDF 7.56579
60 2ZXG S23 7.58621
61 3KPX CZH 8.08081
62 1H9G COA MYR 8.64198
63 3CIP ATP 8.8
64 3T6E UQ9 8.91473
65 3T6E MQ9 8.91473
66 2J8C U10 9.12052
67 2J8C SPO 9.12052
68 4WB6 ATP 10
69 6GSG RCO 10.1828
70 3WV1 WHH 10.5263
71 5Z1N PEF 10.7143
72 4A2A ATP 11.6945
73 4WZV E40 13.125
74 1FDQ HXA 13.7405
75 5Z84 CHD 14.1176
76 5IXK 6EW 14.4737
77 3VPB ADP 16.0714
78 1Q3A NGH 16.3636
79 5K2M ADP 33.9623
80 4MGB XDH 38.4615
81 5G5W R8C 42.8571
82 1ZDT PEF 50
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