Receptor
PDB id Resolution Class Description Source Keywords
5WNL 2.5 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF MURINE RECEPTOR-INTERACTING PROTEIN 4 ( D143N BOUND TO STAUROSPORINE MUS MUSCULUS KINASE INHIBITOR COMPLEX TRANSFERASE TRANSFERASE-TRANSFEINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF RIPK4 REVEALS DIMERIZATION-DEP KINASE ACTIVITY. STRUCTURE V. 26 767 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STU A:401;
Valid;
none;
submit data
466.531 C28 H26 N4 O3 C[C@@...
CL A:402;
Invalid;
none;
submit data
35.453 Cl [Cl-]
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WNL 2.5 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF MURINE RECEPTOR-INTERACTING PROTEIN 4 ( D143N BOUND TO STAUROSPORINE MUS MUSCULUS KINASE INHIBITOR COMPLEX TRANSFERASE TRANSFERASE-TRANSFEINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF RIPK4 REVEALS DIMERIZATION-DEP KINASE ACTIVITY. STRUCTURE V. 26 767 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 5WNL - STU C28 H26 N4 O3 C[C@@]12[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 5WNL - STU C28 H26 N4 O3 C[C@@]12[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 5WNL - STU C28 H26 N4 O3 C[C@@]12[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: STU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STU 1 1
2 UCN 0.666667 0.892308
3 KSA 0.535714 0.882353
Similar Ligands (3D)
Ligand no: 1; Ligand: STU; Similar ligands found: 1
No: Ligand Similarity coefficient
1 UCM 0.8960
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WNL; Ligand: STU; Similar sites found with APoc: 87
This union binding pocket(no: 1) in the query (biounit: 5wnl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2CSN CKI 5.38721
2 5GZ9 ANP 15.7377
3 3TTI KBI 16.0819
4 1PHK ATP 17.7852
5 4UX9 ANP 19.4656
6 4UX9 ANP 19.4656
7 6K3L 3NG 21.0059
8 3VHE 42Q 21.6374
9 5VC5 96M 23.8754
10 4CRL C1I 24.1379
11 2WU6 DKI 27.193
12 6CMJ F6J 28.0374
13 5LI1 ANP 28.0702
14 5EFQ ADP 28.3626
15 4QTB 38Z 29.2398
16 1XJD STU 29.2398
17 4N70 2HX 30.4878
18 3RWP ABQ 30.5466
19 3RWP ABQ 30.5466
20 3LXN MI1 30.8176
21 2QCS ANP 31.8713
22 4WB6 ATP 31.8713
23 4IDT T28 32.4561
24 3E8N ATP 32.8446
25 3E8N VRA 32.8446
26 3E8N ATP 32.8446
27 3E8N VRA 32.8446
28 4OH4 ANP 33.033
29 4OH4 ANP 33.033
30 2VZ6 FEF 33.5463
31 1U5R ATP 33.6257
32 1U5R ATP 33.6257
33 1U5R ATP 33.6257
34 2BPM 529 33.9806
35 4CFU 2WC 33.9934
36 6GUE FB8 34.106
37 4BCN T9N 34.3333
38 1V0O INR 34.7222
39 1V0O INR 34.7222
40 6GU6 1QK 34.7682
41 5HQ0 LZ9 34.7682
42 2VN9 GVD 34.8837
43 2XMY CDK 34.8993
44 4OTH DRN 35.1906
45 1UNH IXM 35.6164
46 1UNH IXM 35.6164
47 3O0G 3O0 35.6164
48 2A19 ANP 36.2676
49 4CLI 5P8 36.3914
50 3SLS ANP 36.5132
51 6JQR C6F 36.9697
52 5U6C 7YS 37.1429
53 5U6C 7YS 37.1429
54 5LPB ADP 37.1622
55 4AG8 AXI 37.3418
56 4E93 GUI 38.0117
57 2H8H H8H 38.5965
58 5N87 N66 38.6581
59 3LXK MI1 38.8379
60 4EWH T77 39.6364
61 4EWH T77 39.6364
62 5IZF 6J9 AZ1 DAR ACA DAR NH2 39.6947
63 4UXL 5P8 39.7516
64 3VRY B43 40.3509
65 4P5Z Q7M 40.3509
66 5WO4 B7V 41.0596
67 5WO4 B7V 41.0596
68 5USZ SKE 41.5225
69 1U59 STU 41.8118
70 6OVA N9G 41.9847
71 3BU5 ATP 42.4837
72 3EKK GS2 42.671
73 6NSP L0P 44.4444
74 3IOK 1P6 44.6565
75 3SRV S19 44.7653
76 3SRV S19 44.7653
77 1BYG STU 44.964
78 4TWP AXI 45.0185
79 4TWP AXI 45.0185
80 4F4P 0SB 45.4212
81 5NKB 8ZT 45.4248
82 2XVD AS6 46.0265
83 6LVK EVC 47.7099
84 6LUB EUX 48.0916
85 6X3N ULV 49.0775
86 6X3N 5WE 49.0775
87 2HK5 1BM 49.2593
Pocket No.: 2; Query (leader) PDB : 5WNL; Ligand: STU; Similar sites found with APoc: 75
This union binding pocket(no: 2) in the query (biounit: 5wnl.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6JKM ADP 4.98534
2 5GZ9 ANP 15.7377
3 3TTI KBI 16.0819
4 4UX9 ANP 19.4656
5 3VHE 42Q 21.6374
6 5VC5 96M 23.8754
7 4CRL C1I 24.1379
8 5EFQ ADP 28.3626
9 4QTB 38Z 29.2398
10 1XJD STU 29.2398
11 2ZV2 609 29.8658
12 4N70 2HX 30.4878
13 3RWP ABQ 30.5466
14 3RWP ABQ 30.5466
15 3LXN MI1 30.8176
16 4WB6 ATP 31.8713
17 4IDT T28 32.4561
18 4IDT T28 32.4561
19 3E8N ATP 32.8446
20 3E8N VRA 32.8446
21 4OH4 ANP 33.033
22 4OH4 ANP 33.033
23 2VZ6 FEF 33.5463
24 1U5R ATP 33.6257
25 1U5R ATP 33.6257
26 1U5R ATP 33.6257
27 4CFU 2WC 33.9934
28 6GUE FB8 34.106
29 4BCQ TJF 34.2193
30 4BCN T9N 34.3333
31 4BCN T9N 34.3333
32 1V0O INR 34.7222
33 1V0O INR 34.7222
34 6GU6 1QK 34.7682
35 2VN9 GVD 34.8837
36 2VN9 GVD 34.8837
37 2XMY CDK 34.8993
38 1UNH IXM 35.6164
39 1UNH IXM 35.6164
40 3O0G 3O0 35.6164
41 3HMO STU 35.6725
42 3HMO STU 35.6725
43 2A19 ANP 36.2676
44 4CLI 5P8 36.3914
45 3SLS ANP 36.5132
46 6JQR C6F 36.9697
47 5U6C 7YS 37.1429
48 5U6C 7YS 37.1429
49 5LPB ADP 37.1622
50 4NM5 ADP 37.5
51 2F57 23D 37.8549
52 2H8H H8H 38.5965
53 5N87 N66 38.6581
54 3LXK MI1 38.8379
55 4EWH T77 39.6364
56 4EWH T77 39.6364
57 5IZF 6J9 AZ1 DAR ACA DAR NH2 39.6947
58 4UXL 5P8 39.7516
59 3VRY B43 40.3509
60 4P5Z Q7M 40.3509
61 5WO4 B7V 41.0596
62 1U59 STU 41.8118
63 3BU5 ATP 42.4837
64 6NSP L0P 44.4444
65 3IOK 1P6 44.6565
66 3SRV S19 44.7653
67 3SRV S19 44.7653
68 1BYG STU 44.964
69 4TWP AXI 45.0185
70 4TWP AXI 45.0185
71 4F4P 0SB 45.4212
72 2XVD AS6 46.0265
73 6X3N ULV 49.0775
74 6X3N 5WE 49.0775
75 2HK5 1BM 49.2593
Pocket No.: 3; Query (leader) PDB : 5WNL; Ligand: STU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5wnl.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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