Receptor
PDB id Resolution Class Description Source Keywords
2XKO 2.25 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE COMPLEX OF NTCA WITH ITS TRANSCRIPTIONAL CO-ACTIVATOR PIPX 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:1223;
B:1223;
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
2XKO 2.25 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE COMPLEX OF NTCA WITH ITS TRANSCRIPTIONAL CO-ACTIVATOR PIPX 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 2XKO - AKG C5 H6 O5 C(CC(=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 166 families.
1 2XKO - AKG C5 H6 O5 C(CC(=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 141 families.
1 2XKO - 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 : 2XKO; Ligand: AKG; Similar sites found: 85
This union binding pocket(no: 1) in the query (biounit: 2xko.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZMF CMP 0.006591 0.43318 None
2 3ZZS TRP 0.01157 0.41322 None
3 4GLL NAD 0.04311 0.40535 2.25225
4 2YVF NAD 0.03298 0.43253 2.7027
5 2YVF FAD 0.04265 0.42576 2.7027
6 3E5H GNP 0.02249 0.41326 2.80899
7 3JYN NDP 0.01889 0.42685 3.15315
8 5C8W PCG 0.001222 0.45449 3.4965
9 4GKV NAD 0.006996 0.45249 3.6036
10 4RVU NDP 0.0145 0.43409 3.6036
11 3OZG SSI 0.01718 0.40726 5.2
12 1P0F NAP 0.03011 0.41467 5.61798
13 2Z9I GLY ALA THR VAL 0.008755 0.4129 5.61798
14 4A0S NAP 0.04573 0.40422 5.61798
15 2PXX SAH 0.02583 0.4028 5.61798
16 2F7A BEZ 0.00293 0.40761 5.85586
17 4W6Z 8ID 0.01144 0.44156 6.74157
18 5THZ SAH 0.03721 0.40016 6.74157
19 4BFM ANP 0.0055 0.4395 6.75676
20 1IN4 ADP 0.007497 0.4289 7.65766
21 1H2B NAJ 0.009255 0.44414 7.86517
22 1P18 PRP 0.03291 0.40245 7.86517
23 1P18 7HP 0.03291 0.40245 7.86517
24 2JFN GLU 0.01674 0.40086 8.55856
25 4WZV E40 0.04032 0.40068 8.75
26 1BGQ RDC 0.03618 0.40298 9.00901
27 4PLG NAI 0.04115 0.41098 9.90991
28 2R5N RP5 0.02567 0.41934 10.1124
29 2GZ3 NAP 0.04739 0.41897 10.1124
30 2R5N TPP 0.0291 0.41515 10.1124
31 1CDO NAD 0.03 0.40922 10.1124
32 3IBH GSH 0.02454 0.40597 10.1124
33 1Q20 A3P 0.04765 0.40279 10.1124
34 1Q20 PLO 0.04765 0.40279 10.1124
35 2J4D FAD 0.04157 0.40165 10.1124
36 5W10 CMP 0.006677 0.43287 10.3604
37 5M3E APR 0.03819 0.40215 10.9091
38 5ND5 TPP 0.01893 0.41393 11.236
39 3T4L ZEA 0.01889 0.40777 11.236
40 2ZPA ACO 0.03367 0.40075 11.236
41 4KU7 PCG 0.002886 0.40692 11.7647
42 3SHR CMP 0.004593 0.40095 12.1622
43 1N83 CLR 0.01717 0.41895 12.6126
44 3CF6 SP1 0.000758 0.47445 13.0631
45 2IO8 ADP 0.03314 0.40182 13.0631
46 5JAX 6J7 0.001668 0.45643 13.3333
47 5G3U FDA 0.0478 0.40779 13.4831
48 4ZSI GLP 0.01957 0.40468 13.4831
49 1NE6 SP1 0.004146 0.438 14.4144
50 1RDT 570 0.009041 0.43263 14.6067
51 1FM9 570 0.01373 0.42984 14.6067
52 1T3Q MCN 0.04246 0.40813 14.6067
53 3H0A D30 0.03711 0.40287 14.6067
54 4AVB CMP 0.001571 0.45574 15.7303
55 1D1T NAD 0.01316 0.43528 15.7303
56 1YY5 FAD 0.0337 0.42333 16.8539
57 3W8X FAD 0.04382 0.41623 16.8539
58 5MEX PAP 0.02035 0.40716 16.8539
59 1R37 NAD 0.01242 0.43772 17.9775
60 5BV6 35G 0.002217 0.45565 18.4211
61 1HZP DAO 0.02521 0.42562 19.1011
62 4QJP V1F 0.03461 0.40277 19.1011
63 4EKQ NPO 0.01169 0.41754 19.2513
64 1CX4 CMP 0.0005582 0.48551 19.3694
65 4GU5 FAD 0.01398 0.42847 20.2247
66 1TKB N1T 0.04021 0.40817 20.2247
67 1EHI PHY 0.01808 0.40105 20.2247
68 5KJZ PCG 0.001575 0.45828 21.3333
69 4OCJ NDG 0.03225 0.4177 21.3483
70 5KBF CMP 0.001095 0.46445 22.0721
71 5W0N 2KH 0.01651 0.40556 23.5955
72 4OFG PCG 0.001382 0.41741 24.3056
73 5H41 BGC GLC 0.01528 0.41707 25.8427
74 5H41 IFM 0.006639 0.41631 25.8427
75 3OCP CMP 0.001394 0.42336 25.8993
76 3PNA CMP 0.0011 0.43442 26.6234
77 5H5O PCG 0.002007 0.44976 35.6589
78 3OF1 CMP 0.002263 0.41332 35.9551
79 4MUV PCG 0.001414 0.46183 36.6197
80 3KCC CMP 0.0007826 0.48061 41.4414
81 4N9I PCG 0.002763 0.48058 44.2857
82 4CYD CMP 0.0004193 0.42263 44.5946
83 3I59 N6S 0.00009215 0.52834 45.4955
84 3I54 CMP 0.0001183 0.5171 45.4955
85 3I59 N6R 0.0002068 0.50934 45.4955
Pocket No.: 2; Query (leader) PDB : 2XKO; 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: 2xko.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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