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;
submit data
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: 8
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 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: 29
This union binding pocket(no: 1) in the query (biounit: 4tts.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CB8 MYA 0.00759 0.43435 None
2 1ZEI CRS 0.01635 0.41507 None
3 4AGQ P96 0.009006 0.40071 1.88679
4 3W9F I3P 0.004056 0.46846 1.92308
5 4LH7 1X8 0.01687 0.40818 3.14465
6 4R78 AMP 0.01193 0.41761 3.23625
7 1YQC GLV 0.02904 0.41257 3.52941
8 4YSW URC 0.01915 0.41344 3.77358
9 3FW3 GLC 0.0121 0.45144 4.51128
10 1JPA ANP 0.04163 0.40537 4.80769
11 3CH6 NAP 0.01966 0.40652 4.8951
12 3CH6 311 0.01966 0.40652 4.8951
13 1PVS 7HP 0.02674 0.40011 7.0922
14 1XVB BHL BHL 0.02284 0.40788 11.0063
15 4AU8 Z3R 0.01942 0.40289 11.4865
16 1UNH IXM 0.0162 0.40294 11.6438
17 1GAR U89 0.000006767 0.46059 16.5094
18 5VYR GMP 0.000001397 0.56391 17.2414
19 5VYR B62 0.000001397 0.56391 17.2414
20 2QQD AG2 0.01125 0.42349 18.8679
21 3DCJ THH 0.00002548 0.5239 19.5349
22 4LXQ TYD 0.0000002865 0.60298 21.1679
23 4LXQ FON 0.0000002865 0.60298 21.1679
24 4YFY 1YJ 0.0000004701 0.59524 23.2283
25 1RC0 KT5 0.0000002556 0.5126 23.9234
26 5UIJ TYD 0.0000003144 0.60809 29.2453
27 5VYQ FON 0.00001029 0.55583 30.1961
28 2BLN FON 0.0000002066 0.51162 45.2459
29 2BLN U5P 0.000002702 0.48222 45.2459
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