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Receptor
PDB id Resolution Class Description Source Keywords
4TTS 2 Å EC: 1.5.1.6 CRYSTAL STRUCTURE OF THE HYDROLASE DOMAIN OF 10-FORMYLTETRAH DEHYDROGENASE (Y200A) COMPLEX WITH 10-FORMYL-5,8-DIDEAZAFOL DANIO RERIO 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE HYDROLASE DOMAIN C
Ref.: STRUCTURES OF THE HYDROLASE DOMAIN OF ZEBRAFISH 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE AND ITS COM REVEAL A COMPLETE SET OF KEY RESIDUES FOR HYDROLYSI PRODUCT INHIBITION ACTA CRYSTALLOGR.,SECT.D V. 71 1006 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6DD A:401;
Valid;
none;
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467.431 C22 H21 N5 O7 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TTS 2 Å EC: 1.5.1.6 CRYSTAL STRUCTURE OF THE HYDROLASE DOMAIN OF 10-FORMYLTETRAH DEHYDROGENASE (Y200A) COMPLEX WITH 10-FORMYL-5,8-DIDEAZAFOL DANIO RERIO 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE HYDROLASE DOMAIN C
Ref.: STRUCTURES OF THE HYDROLASE DOMAIN OF ZEBRAFISH 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE AND ITS COM REVEAL A COMPLETE SET OF KEY RESIDUES FOR HYDROLYSI PRODUCT INHIBITION ACTA CRYSTALLOGR.,SECT.D V. 71 1006 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4TT8 - 6DD C22 H21 N5 O7 c1cc(ccc1C....
2 4QPD - THG C19 H23 N7 O6 c1cc(ccc1C....
3 4TTS - 6DD C22 H21 N5 O7 c1cc(ccc1C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4TT8 - 6DD C22 H21 N5 O7 c1cc(ccc1C....
2 4QPD - THG C19 H23 N7 O6 c1cc(ccc1C....
3 4TTS - 6DD C22 H21 N5 O7 c1cc(ccc1C....
4 2CFI - ZZZ C7 H9 N5 O2 C1[C@@H](N....
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 4TT8 - 6DD C22 H21 N5 O7 c1cc(ccc1C....
2 4QPD - THG C19 H23 N7 O6 c1cc(ccc1C....
3 4TTS - 6DD C22 H21 N5 O7 c1cc(ccc1C....
4 2CFI - ZZZ C7 H9 N5 O2 C1[C@@H](N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6DD; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 6DD 1 1
2 NHR 0.625 0.913793
3 138 0.470149 0.708861
4 1YA 0.422414 0.797101
5 L37 0.413462 0.8125
6 10F 0.408696 0.887097
7 L24 0.40708 0.859375
8 8DM 0.406977 0.603448
9 MOT 0.405405 0.848485
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TTS; Ligand: 6DD; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 4tts.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2CB8 MYA None
2 1ZEI CRS None
3 3W9F I3P 1.92308
4 5E58 CPZ 2.20126
5 1NE7 16G 2.42215
6 1USR SIA 2.51572
7 3GQK ATP 3.06748
8 4LH7 1X8 3.14465
9 4R78 AMP 3.23625
10 5WXU FLC 3.45912
11 1YQC GLV 3.52941
12 3FW3 GLC 4.51128
13 2VPY PCI 4.61538
14 1JPA ANP 4.80769
15 5YW5 ADE 5.02793
16 3SUC ATP 5.03145
17 4Z0G 5GP 5.34591
18 4B7P 9UN 5.65217
19 1GJW GLC 6.60377
20 5LQ8 GB 6.73759
21 4PYA 2X3 6.8323
22 1PVS 7HP 7.0922
23 3TY5 ADP 10.3774
24 1XVB BHL BHL 11.0063
25 1XVB BHL 11.0063
26 1UNH IXM 11.6438
27 4CM4 4NR 11.9497
28 1GAR U89 16.5094
29 5VYR GMP 17.2414
30 5VYR B62 17.2414
31 2QQD AG2 18.8679
32 3DCJ THH 19.5349
33 4LXQ FON 21.1679
34 4LXQ TYD 21.1679
35 4XCZ T3Q 22.327
36 4XCZ FON 22.327
37 4YFY 1YJ 23.2283
38 1RC0 KT5 23.9234
39 5UIJ TYD 29.2453
40 5VYQ FON 30.1961
41 6EDK 1YA 35.9447
42 2BLN FON 45.2459
43 2BLN U5P 45.2459
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