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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 209 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 175 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 149 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: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 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 with APoc: 123
This union binding pocket(no: 1) in the query (biounit: 2xhk.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZMF CMP None
2 1V0C ACO None
3 4EXO PYR None
4 3OFK SAH 0.925926
5 3TWO NDP 1.8018
6 1P0F NAP 1.8018
7 4DDY DN6 1.8018
8 5O9F NAD 2.25225
9 5O9F 9ON 2.25225
10 4URX FK1 2.25225
11 1H82 GZZ 2.25225
12 1H82 FAD 2.25225
13 6D5L FW7 2.25225
14 5W0N 2KH 2.25225
15 6D5V FVY 2.25225
16 2BIF BOG 2.7027
17 5IXK 6EW 2.7027
18 3NB0 G6P 2.7027
19 3QWB NDP 2.7027
20 5H41 BGC GLC 2.7027
21 5H41 IFM 2.7027
22 4B7X NAP 2.7027
23 5YGE ACO 2.87356
24 3G9E RO7 3.15315
25 1RDT 570 3.15315
26 3LN0 52B 3.15315
27 2J5V PCA 3.15315
28 1LLU NAD 3.15315
29 5HWK BEZ 3.15315
30 5C8W PCG 3.4965
31 4GKV NAD 3.6036
32 4RVU NDP 3.6036
33 4XYB NDP 3.6036
34 3A4V PYR 3.6036
35 3A4V NAD 3.6036
36 1RPN GDP 3.6036
37 1V2X SAM 3.60825
38 4K6B GLU 3.72671
39 1M4I COA 3.8674
40 1M4I KAN 3.8674
41 1CDO NAD 4.05405
42 3CV9 VDX 4.05405
43 5FM0 WAQ 4.05405
44 2Y4O DLL 4.05405
45 2FT0 ACO 4.05405
46 2PXX SAH 4.18605
47 4KOT CE3 4.32099
48 4WZH FMN 4.5045
49 5NJI 8Z2 4.5045
50 1HZP DAO 4.95496
51 3QPB URA 4.95496
52 3H0A D30 4.95496
53 3EYA TDP 4.95496
54 4XGU ADP 4.95496
55 3LTW HLZ 4.95496
56 4UWJ MYA 5.40541
57 4UWJ 7L5 5.40541
58 3WLE NAD 5.40541
59 5GUD 2IT 5.40541
60 5GUD NDP 5.40541
61 1C3X 8IG 5.40541
62 3UWV 2PG 5.40541
63 1ITZ TPP 5.40541
64 1K7L 544 5.40541
65 5NQR 958 5.47945
66 1R37 NAD 5.85586
67 2F7A BEZ 5.85586
68 1XKQ NDP 6.30631
69 2WTX UDP 6.75676
70 1DUV PSQ 6.75676
71 1H2B NAJ 7.20721
72 3NT6 FAD 7.20721
73 4G31 0WH 7.65766
74 5WS9 ATP 7.65766
75 5FVJ ACO 7.83133
76 3ORQ ADP 8.10811
77 4AR8 IP8 GLY PRO ALA 8.10811
78 2Q4V ACO 8.23529
79 4GU5 FAD 8.55856
80 1V25 ANP 8.55856
81 5BSH PRO 8.55856
82 1D0L BLG 8.55856
83 1BGQ RDC 9.00901
84 4XXH T6P 9.45946
85 2RC5 FAD 9.90991
86 4D1J DGJ 9.90991
87 5W10 CMP 10.3604
88 1D1T NAD 10.8108
89 4AVB CMP 11.2613
90 5KOD IAC 11.2613
91 3MHP FAD 11.2613
92 6G9I CXX 11.3095
93 5LS7 ACO 11.6788
94 4KU7 PCG 11.7647
95 3SHR CMP 12.1622
96 1T3Q MCN 12.6126
97 4MDH NAD 12.6126
98 3CF6 SP1 13.0631
99 5JAX 6J7 13.3333
100 1NE6 SP1 14.4144
101 2OG2 MLI 14.4144
102 3OF1 CMP 15.3153
103 5K8S CMP 15.5405
104 5BV6 35G 18.4211
105 5ODQ FAD 18.5714
106 4EKQ NPO 19.2513
107 1CX4 CMP 19.3694
108 5KJZ PCG 21.3333
109 2ZXI FAD 22.0721
110 5KBF CMP 22.0721
111 2PTM CMP 22.2222
112 4OFG PCG 24.3056
113 3OCP CMP 25.8993
114 3PNA CMP 26.6234
115 1QSM ACO 28.9474
116 5H5O PCG 35.6589
117 4MUV PCG 36.6197
118 3KCC CMP 41.4414
119 4N9I PCG 44.2857
120 4CYD CMP 44.5946
121 3I54 CMP 45.4955
122 3I59 N6R 45.4955
123 3I59 N6S 45.4955
Pocket No.: 2; Query (leader) PDB : 2XHK; Ligand: AKG; Similar sites found with APoc: 71
This union binding pocket(no: 2) in the query (biounit: 2xhk.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3MMH SME 1.1976
2 5Y1G AKB 1.8018
3 5Y1G NAD 1.8018
4 3AQT RCO 1.8018
5 1EU1 MGD 2.25225
6 5L92 C0R 2.25225
7 3T50 FMN 2.34375
8 2WSA MYA 2.7027
9 2WSA 646 2.7027
10 2GFD RDA 2.7027
11 3E5H GNP 2.80899
12 2P4Y C03 3.15315
13 1FM9 570 3.15315
14 3WDM ADN 3.15315
15 1WUU ANP 3.15315
16 5H5J FAD 3.15315
17 1UAY ADN 3.15315
18 4OXI GAP 3.15315
19 4PNE SAH 3.6036
20 6EJI UD2 3.6036
21 5OYH T99 3.62694
22 5XFV FMN 4.05405
23 4IMG NGF 4.05405
24 1QZR ANP 4.05405
25 4A0S NAP 4.05405
26 4CS9 AMP 4.2328
27 3P2H NOO 4.47761
28 2R0N TGC 4.5045
29 5EXW 7DT 4.5045
30 5K4W NAI 4.95496
31 1DL5 SAH 5.40541
32 2JKY 5GP 5.6338
33 5YSQ INS 5.85586
34 4X7R UDP 7.20721
35 2YNE YNE 7.20721
36 2YNE NHW 7.20721
37 4X7R 3YW 7.20721
38 2YY7 NAD 7.20721
39 5Z75 NAD 7.20721
40 1IN4 ADP 7.65766
41 2Z3Y F2N 7.65766
42 4RGQ NDP 7.65766
43 3RET SAL 7.92079
44 4BQS ADP 7.95455
45 4BQS K2Q 7.95455
46 4HSU FAD 8.10811
47 4FWE FAD 8.10811
48 4JDR FAD 8.10811
49 3BU1 HSM 8.10811
50 1ZXM ANP 8.10811
51 1JJE BYS 8.10811
52 4O4K 2PK 8.55856
53 4U63 FAD 8.55856
54 1Y8Q ATP 9.45946
55 6CZ3 FLJ 9.45946
56 4WAS NAP 9.90991
57 6ADI 9UO 10.3604
58 5HM3 649 10.3604
59 1ZBQ NAD 10.3604
60 5KOD AMP 11.2613
61 2IHU TP9 12.1622
62 4QIJ 1HA 12.1622
63 1N83 CLR 12.6126
64 2IVN ANP 12.6126
65 1DQX BMP 13.0631
66 4OIV XX9 13.5135
67 3OKI OKI 13.5135
68 1IYK MYA 14.8649
69 1N7G GDR 15.7658
70 4WUJ FMN 19.0476
71 5DJU FMN 21.3793
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