-->
Receptor
PDB id Resolution Class Description Source Keywords
2R00 2.03 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE II COMPLEXED WITH ASA FROM VIBRIO CHOLERAE VIBRIO CHOLERAE ASPARTATE SEMIALDEHYDE DEHYDROGENASE CONFORMATIONAL CHANGEHALF-OF-SITES-REACTIVITY PROTEIN EVOLUTION SEQUENCE HOMOLOGY SUBUNIT COMMUNICATION AMINO-ACID BIOSYNTHESIS DIAMINOPIMELATE BIOSYNTHESIS LYSINE BIOSYNTHESIS NADP OXIDOREDUCTASE
Ref.: THE STRUCTURE OF A REDUNDANT ENZYME: A SECOND ISOFORM OF ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN VIBRIO CHOLERAE. ACTA CRYSTALLOGR.,SECT.D V. 64 321 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OEG C:1;
Valid;
none;
submit data
134.087 C4 H6 O5 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R00 2.03 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE II COMPLEXED WITH ASA FROM VIBRIO CHOLERAE VIBRIO CHOLERAE ASPARTATE SEMIALDEHYDE DEHYDROGENASE CONFORMATIONAL CHANGEHALF-OF-SITES-REACTIVITY PROTEIN EVOLUTION SEQUENCE HOMOLOGY SUBUNIT COMMUNICATION AMINO-ACID BIOSYNTHESIS DIAMINOPIMELATE BIOSYNTHESIS LYSINE BIOSYNTHESIS NADP OXIDOREDUCTASE
Ref.: THE STRUCTURE OF A REDUNDANT ENZYME: A SECOND ISOFORM OF ASPARTATE BETA-SEMIALDEHYDE DEHYDROGENASE IN VIBRIO CHOLERAE. ACTA CRYSTALLOGR.,SECT.D V. 64 321 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)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 4 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2R00 - OEG C4 H6 O5 C(C(=O)O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OEG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OEG 1 1
2 VKC 0.5 0.826087
3 TEG 0.413793 0.76
4 OP2 0.4 0.730769
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R00; Ligand: OEG; Similar sites found with APoc: 39
This union binding pocket(no: 1) in the query (biounit: 2r00.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5TO8 7FM 0.70922
2 4MO2 FAD 1.19048
3 5BVE 4VG 2.08333
4 5N7O 69Y 2.71493
5 5N6C NAD 3
6 5J60 FAD 3.125
7 1OX5 1PR 3.57143
8 4X7R NTO 3.86905
9 1E5Q NDP 3.86905
10 5A5W GUO 3.95257
11 1I8T FAD 4.16667
12 2X7J TPP 4.16667
13 1RM0 D6P 4.46429
14 4QTB 38Z 4.46429
15 5AX9 4KT 4.54545
16 1N46 PFA 4.65116
17 3TO7 COA 4.71014
18 1KEV NDP 4.7619
19 1LOR BMP 5.26316
20 4XDZ NDP 5.35714
21 5E4R NAP 5.35714
22 1YKF NAP 5.95238
23 4I3V NAD 6.84524
24 5X9D 80F 7.23684
25 1C0I FAD 8.03571
26 1C0I BE2 8.03571
27 1GTE FMN 8.03571
28 1GTE IUR 8.03571
29 2Q8Z NUP 8.47953
30 2I3G NAP 9.52381
31 6GU6 1QK 9.52381
32 2Y88 2ER 9.83607
33 1NVM NAD 9.9359
34 1UM0 FMN 10.119
35 2JLD AG1 10.4167
36 3F7Z 34O 10.4167
37 1T3Q MCN 11.3095
38 5EIN NAP 27.7778
39 4DPL NAP 42.0613
Pocket No.: 2; Query (leader) PDB : 2R00; Ligand: OEG; 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: 2r00.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback