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Receptor
PDB id Resolution Class Description Source Keywords
4C25 2.03 Å EC: 4.1.2.17 L-FUCULOSE 1-PHOSPHATE ALDOLASE STREPTOCOCCUS PNEUMONIAE LYASE FUCOSE PROCESSING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FUCOSE-PROCES ENZYMES FROM STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 426 1469 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:306;
A:307;
A:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:304;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
GOL A:308;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
13P A:303;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
ZN A:301;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NI A:302;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C25 2.03 Å EC: 4.1.2.17 L-FUCULOSE 1-PHOSPHATE ALDOLASE STREPTOCOCCUS PNEUMONIAE LYASE FUCOSE PROCESSING
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF FUCOSE-PROCES ENZYMES FROM STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 426 1469 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C25 - 13P C3 H7 O6 P C(C(=O)COP....
2 1E47 - 13P C3 H7 O6 P C(C(=O)COP....
3 4FUA Ki = 4 uM PGH C2 H6 N O6 P C(C(=O)NO)....
4 1E48 - 13P C3 H7 O6 P C(C(=O)COP....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C25; Ligand: 13P; Similar sites found with APoc: 49
This union binding pocket(no: 1) in the query (biounit: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3W6X HZP None
2 4LZJ 22H None
3 4X1Z FUC GAL NDG 1.41509
4 1SQS TLA 1.88679
5 4USR FAD 1.88679
6 4D9C PMP 2.35849
7 4AG5 ADP 2.83019
8 5I0H ADP BEF 2.83019
9 1NJF ADP 2.83019
10 5BSH PRO 2.83019
11 1GPM CIT 3.30189
12 4FRZ ADP 3.30189
13 3NHB ADP 3.30189
14 5WXU FLC 3.77358
15 4ZG4 VO4 ADP 3.77358
16 3ZFD ANP 3.77358
17 4WZ6 ATP 3.77358
18 2PZE ATP 3.77358
19 4LHW GNP 4.02299
20 1OIX GDP 4.18848
21 2WOX NDP 4.24528
22 5TSH ADP 4.24528
23 5NC1 NAG 4.24528
24 1IXI 2HP 4.24528
25 2WME NAP 4.24528
26 5F52 ASP 4.24528
27 4N02 FNR 4.24528
28 2JDU MFU 4.34783
29 4C4P GNP 4.62428
30 2AWN ADP 4.71698
31 2D7C GTP 4.79042
32 4WOE 3S5 5.18868
33 5LQ8 GB 5.66038
34 4C3Y FAD 6.13208
35 4C3Y ANB 6.13208
36 2YBQ UP2 6.13208
37 2VVG ADP 6.60377
38 4YRY FAD 6.60377
39 1T5C ADP 6.60377
40 6A20 ADP 6.60377
41 1ZC3 GNP 6.85714
42 1O94 ADP 7.54717
43 1GOJ ADP 8.01887
44 1HSK FAD 8.01887
45 3LRE ADP 10.3774
46 1M2O GNP 10.5263
47 2HV8 GTP 12.5
48 4Y9J UCC 15.566
49 4ZOH MCN 19.3396
Pocket No.: 2; Query (leader) PDB : 4C25; Ligand: 13P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4C25; Ligand: 13P; 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: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4C25; Ligand: 13P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4c25.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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