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Receptor
PDB id Resolution Class Description Source Keywords
2UYP 2.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI TDCF WITH BOUND PROPIONATE ESCHERICHIA COLI YJGF/YER057C/UK114 FAMILY 2-KETOBUTYRATE UNKNOWN FUNCTIONPROPIONATE TDCF PROTEIN LIGAND BINDING
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI TDCF, A M THE HIGHLY CONSERVED YJGF/YER057C/UK114 FAMILY. BMC STRUCT.BIOL. V. 7 30 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPI B:1129;
C:1129;
Valid;
Valid;
none;
none;
submit data
74.079 C3 H6 O2 CCC(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UYP 2.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI TDCF WITH BOUND PROPIONATE ESCHERICHIA COLI YJGF/YER057C/UK114 FAMILY 2-KETOBUTYRATE UNKNOWN FUNCTIONPROPIONATE TDCF PROTEIN LIGAND BINDING
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI TDCF, A M THE HIGHLY CONSERVED YJGF/YER057C/UK114 FAMILY. BMC STRUCT.BIOL. V. 7 30 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2UYP - PPI C3 H6 O2 CCC(=O)O
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2UYP - PPI C3 H6 O2 CCC(=O)O
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2UYP - PPI C3 H6 O2 CCC(=O)O
2 5HP8 - PYR C3 H4 O3 CC(=O)C(=O....
3 1ONI - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPI; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PPI 1 1
2 BUA 0.5625 0.785714
3 2KT 0.5625 0.625
4 SMB 0.5 0.642857
5 LEA 0.473684 0.647059
6 AAE 0.470588 0.625
7 R3W 0.466667 0.642857
8 BXA 0.466667 0.642857
9 FAH 0.466667 0.642857
10 ACY 0.461538 0.636364
11 IVA 0.444444 0.714286
12 39J 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UYP; Ligand: PPI; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 2uyp.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5EYG NAP None
2 2OWZ F6P None
3 2Q8M FBP None
4 1USF FMN 2.32558
5 2XTN GTP 2.32558
6 1HZP DAO 3.10078
7 3BNK FMN 3.10078
8 2ART LPA AMP 3.87597
9 2UZ1 TPP 4.65116
10 3IAE D7K 4.65116
11 1OC2 TDX 4.65116
12 1OC2 NAD 4.65116
13 3GDN HBX 4.65116
14 3TTZ 07N 5.42636
15 2BII MTV 6.20155
16 5K8P 6R8 6.97674
17 1QD1 FON 7.75194
18 6H3O FAD 7.75194
19 3QFA FAD 7.75194
20 1XG5 NAP 7.75194
21 2GC0 PAN 10.0775
22 1GJW MAL 10.8527
23 2PT9 S4M 10.8527
24 5O96 SAM 11.6279
25 2A19 ANP 15.5039
26 1KGI T4A 15.748
27 6F6E PLM 19.3798
28 5AG3 3EB 24.031
29 1UPF URF 31.7829
Pocket No.: 2; Query (leader) PDB : 2UYP; Ligand: PPI; Similar sites found with APoc: 56
This union binding pocket(no: 2) in the query (biounit: 2uyp.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1MVN PCO None
2 1T32 OHH None
3 2NNQ T4B None
4 4UX9 ANP None
5 2JLD AG1 None
6 3GDH SAH None
7 2TPI ILE VAL 1.55039
8 4ZFL 4NK 1.55039
9 4FG8 ATP 2.32558
10 2B9I ADP 2.32558
11 2B9H ADP 2.32558
12 2B9J ADP 2.32558
13 4L9I 8PR 3.10078
14 3BBH SFG 3.10078
15 4WNK 453 3.87597
16 6GAR FAD 4.65116
17 5UKL SIX 5.42636
18 1IR3 ANP 5.42636
19 2YAB AMP 5.42636
20 6GZD LCI 5.42636
21 3D78 NBB 5.88235
22 4PW9 MSS 6.60377
23 5UIJ TYD 6.97674
24 1AJQ SPA 6.97674
25 6G33 5ID 6.97674
26 5X8I SQZ 6.97674
27 2XNJ NAP 6.97674
28 3FHR P4O 7.75194
29 1SFF IK2 7.75194
30 4FN4 NAD 7.75194
31 4V15 PLP 7.75194
32 1VKO NAD 7.75194
33 1M2T ADE 8.52713
34 4OAV ACP 8.52713
35 3G5D 1N1 8.52713
36 1IDA 0PO 9.09091
37 4Y85 499 9.30233
38 4XCZ FON 9.30233
39 4XCZ T3Q 9.30233
40 5JZJ AN2 10.0775
41 1RM0 NAI 10.8527
42 2PT9 2MH 10.8527
43 4U44 3D9 10.8527
44 2JAP NDP 11.6279
45 2JAH NDP 11.6279
46 2VZ6 FEF 12.4031
47 1U5R ATP 13.1783
48 3ORK AGS 15.5039
49 3Q60 ATP 15.5039
50 3LN0 52B 16.2791
51 3DAK ANP 16.2791
52 2RIO ADP 17.8295
53 3PVW QRX 24.3243
54 5KR7 6X9 25.5814
55 4QRH 0O2 25.5814
56 2YAK OSV 27.1318
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