Receptor
PDB id Resolution Class Description Source Keywords
2XHK 2.3 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF TRANSCRIPTION FACTOR NTCA FROM SYNECHOCOCCUS ELONGATUS BOUND TO 2-OXOGLUTARATE SYNECHOCOCCUS ELONGATUS TRANSCRIPTION NITROGEN ASSIMILATION CRP/FNR SUPERFAMILY 2-OXOGLUTARATE GLOBAL NITROGEN CONTROLLER.
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF NTCA-DEPENDENT TRANSCRIPTION BY PROTEINS PIPX AND PII. PROC.NATL.ACAD.SCI.USA V. 107 15397 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:519;
B:519;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XHK 2.3 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF TRANSCRIPTION FACTOR NTCA FROM SYNECHOCOCCUS ELONGATUS BOUND TO 2-OXOGLUTARATE SYNECHOCOCCUS ELONGATUS TRANSCRIPTION NITROGEN ASSIMILATION CRP/FNR SUPERFAMILY 2-OXOGLUTARATE GLOBAL NITROGEN CONTROLLER.
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF NTCA-DEPENDENT TRANSCRIPTION BY PROTEINS PIPX AND PII. PROC.NATL.ACAD.SCI.USA V. 107 15397 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2XHK - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3LA3 - 2FT C5 H6 F2 O4 C(CC(C(=O)....
2 2XHK - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 3LA3 - 2FT C5 H6 F2 O4 C(CC(C(=O)....
2 2XHK - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XHK; Ligand: AKG; Similar sites found: 38
This union binding pocket(no: 1) in the query (biounit: 2xhk.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H82 GZZ 0.03877 0.42827 2.25225
2 5H41 IFM 0.01117 0.40267 2.7027
3 3G9E RO7 0.01246 0.43464 3.15315
4 2J5V PCA 0.0124 0.40942 3.15315
5 5HWK BEZ 0.01162 0.40667 3.15315
6 5C8W PCG 0.001335 0.45049 3.4965
7 1V2X SAM 0.01823 0.40933 3.60825
8 4K6B GLU 0.005698 0.41688 3.72671
9 1HZP DAO 0.03104 0.42002 4.95496
10 3EYA TDP 0.01846 0.41676 4.95496
11 3H0A D30 0.02706 0.40932 4.95496
12 3WLE NAD 0.0105 0.44195 5.40541
13 1R37 NAD 0.01156 0.43753 5.85586
14 1BGQ RDC 0.004742 0.44922 9.00901
15 4AVB CMP 0.001521 0.41508 11.2613
16 5KOD IAC 0.006233 0.40786 11.2613
17 4KU7 PCG 0.00606 0.40026 11.7647
18 3SHR CMP 0.002754 0.42043 12.1622
19 3CF6 SP1 0.001325 0.41006 13.0631
20 5JAX 6J7 0.002054 0.40841 13.3333
21 1NE6 SP1 0.003391 0.44062 14.4144
22 2OG2 MLI 0.03431 0.40083 14.4144
23 3OF1 CMP 0.004269 0.4082 15.3153
24 5BV6 35G 0.002795 0.44909 18.4211
25 4EKQ NPO 0.02047 0.40317 19.2513
26 1CX4 CMP 0.0005567 0.48241 19.3694
27 5KJZ PCG 0.001712 0.40712 21.3333
28 5KBF CMP 0.003065 0.44055 22.0721
29 4OFG PCG 0.002906 0.41221 24.3056
30 3OCP CMP 0.002017 0.4256 25.8993
31 3PNA CMP 0.002122 0.42929 26.6234
32 4MUV PCG 0.001103 0.41287 36.6197
33 3KCC CMP 0.001665 0.46051 41.4414
34 4N9I PCG 0.002131 0.48693 44.2857
35 4CYD CMP 0.0002185 0.4438 44.5946
36 3I54 CMP 0.0001173 0.51398 45.4955
37 3I59 N6S 0.0001856 0.50889 45.4955
38 3I59 N6R 0.0002463 0.50265 45.4955
Pocket No.: 2; Query (leader) PDB : 2XHK; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xhk.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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