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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 209 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 175 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 149 families.
1 2XKO - 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 : 2XKO; Ligand: AKG; Similar sites found with APoc: 151
This union binding pocket(no: 1) in the query (biounit: 2xko.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZMF CMP None
2 3ZZQ TRP None
3 3ZZS TRP None
4 1WAP TRP None
5 1QAW TRP None
6 3ZZL TRP None
7 5D9J 0N8 1.06952
8 4DDY DN6 2.24719
9 4ZCC FAD 2.25225
10 4GLL NAD 2.25225
11 2YVF NAD 2.7027
12 2YVF FAD 2.7027
13 2BIF BOG 2.7027
14 3E5H GNP 2.80899
15 2RIF AMP 2.83688
16 2C94 TSF 3.125
17 3JYN NDP 3.15315
18 3WDM ADN 3.15315
19 2PI8 NAG NAG NAG NAG NAG NAG 3.37079
20 6D5M FW4 3.37079
21 6D5L FW7 3.37079
22 6D5V FVY 3.37079
23 6D5J FV4 3.37079
24 5JPH COA 3.47222
25 5C8W PCG 3.4965
26 4GKV NAD 3.6036
27 4RVU NDP 3.6036
28 5UY8 8UM 3.6036
29 4CS9 AMP 4.2328
30 3A4V NAD 4.49438
31 3EYA TDP 4.95496
32 5C9P FUC 4.95496
33 3BNK FMN 5.10204
34 3OZG SSI 5.2
35 6BA2 7KM 5.40541
36 4TVD BGC 5.40541
37 1K7L 544 5.40541
38 2NPA MMB 5.40541
39 1ITZ TPP 5.61798
40 1R9J TPP 5.61798
41 4IMG NGF 5.61798
42 1P0F NAP 5.61798
43 2Z9I GLY ALA THR VAL 5.61798
44 4A0S NAP 5.61798
45 2PXX SAH 5.61798
46 6G96 ACO 5.68182
47 2F7A BEZ 5.85586
48 4W6Z 8ID 6.74157
49 1NQ7 ARL 6.74157
50 5K2M ADP 6.74157
51 3QPB URA 6.74157
52 6EL3 NAP 6.74157
53 5THZ SAH 6.74157
54 4BFM ANP 6.75676
55 1DUV PSQ 6.75676
56 4XJC TTP 6.77966
57 1LDN NAD 7.20721
58 1IN4 ADP 7.65766
59 1H2B NAJ 7.86517
60 1U8V FAD 7.86517
61 1LDM NAD 8.10811
62 1RSG FAD 8.55856
63 1M9H NAD 8.55856
64 2JFN GLU 8.55856
65 4WZV E40 8.75
66 4WCX ALA 8.98876
67 5A8R TP7 8.98876
68 1BGQ RDC 9.00901
69 4PLG OXM 9.90991
70 4PLG NAI 9.90991
71 5NQR 958 10.1124
72 2R5N RP5 10.1124
73 2GZ3 NAP 10.1124
74 2R5N TPP 10.1124
75 1CDO NAD 10.1124
76 3IBH GSH 10.1124
77 6FQZ 6PG 10.1124
78 1Q20 PLO 10.1124
79 1Q20 A3P 10.1124
80 2J4D FAD 10.1124
81 2J5V PCA 10.1124
82 5W10 CMP 10.3604
83 6ADI 9UO 10.3604
84 5M3E APR 10.9091
85 5ND5 TPP 11.236
86 3T4L ZEA 11.236
87 5UC4 83S 11.236
88 4B7X NAP 11.236
89 2ZPA ACO 11.236
90 6G9I CXX 11.3095
91 6F5U CQN 11.3095
92 4KU7 PCG 11.7647
93 3SHR CMP 12.1622
94 2IHU TP9 12.1622
95 3TWO NDP 12.3596
96 1N83 CLR 12.6126
97 3CF6 SP1 13.0631
98 2IO8 ADP 13.0631
99 5JAX 6J7 13.3333
100 5LS7 ACO 13.4831
101 5G3U FDA 13.4831
102 4EXO PYR 13.4831
103 4ZSI GLP 13.4831
104 1NE6 SP1 14.4144
105 1RDT 570 14.6067
106 1FM9 570 14.6067
107 1T3Q MCN 14.6067
108 3AQT RCO 14.6067
109 3H0A D30 14.6067
110 5UXF 2BA 14.8649
111 5K8S CMP 15.5405
112 1D1T NAD 15.7303
113 4AVB CMP 15.7303
114 1BZY IMU 15.7303
115 1YY5 FAD 16.8539
116 3W8X FAD 16.8539
117 3W8X FTK 16.8539
118 5MEX PAP 16.8539
119 1R37 NAD 17.9775
120 5BV6 35G 18.4211
121 1HZP DAO 19.1011
122 5E2N V14 19.1011
123 5HWK BEZ 19.1011
124 4EKQ NPO 19.2513
125 1CX4 CMP 19.3694
126 4GU5 FAD 20.2247
127 1TKB N1T 20.2247
128 3NHT U46 20.2247
129 1ZBQ NAD 20.2247
130 1EHI PHY 20.2247
131 5KJZ PCG 21.3333
132 4OCJ NDG 21.3483
133 5KBF CMP 22.0721
134 2PTM CMP 22.2222
135 5CG1 NAD BBN 22.5225
136 5W0N 2KH 23.5955
137 4OFG PCG 24.3056
138 5H41 BGC GLC 25.8427
139 5DEP UD1 25.8427
140 5H41 IFM 25.8427
141 3OCP CMP 25.8993
142 3PNA CMP 26.6234
143 5H5O PCG 35.6589
144 3OF1 CMP 35.9551
145 4MUV PCG 36.6197
146 3KCC CMP 41.4414
147 4N9I PCG 44.2857
148 4CYD CMP 44.5946
149 3I54 CMP 45.4955
150 3I59 N6S 45.4955
151 3I59 N6R 45.4955
Pocket No.: 2; Query (leader) PDB : 2XKO; Ligand: AKG; Similar sites found with APoc: 31
This union binding pocket(no: 2) in the query (biounit: 2xko.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3KP6 SAL None
2 4RPO T6C 1.8018
3 4RI1 ACO 2.24719
4 4ZJS 4P0 3.15315
5 4URX FK1 3.37079
6 2ARC ARA 3.65854
7 5VKT NAP 5.61798
8 5NTW 98N 6.74157
9 5GZ9 ANP 6.74157
10 6AMI TRP 6.74157
11 2GZM DGL 6.75676
12 4RGQ NDP 7.65766
13 2QE4 JJ3 7.86517
14 5WS9 ATP 7.86517
15 3ZKI WZV 7.86517
16 4O4K 2PK 8.55856
17 1YKD CMP 8.98876
18 2A92 NAI 9.00901
19 5L13 6ZE 10.1124
20 4WAS NAP 10.1124
21 1EM6 NBG 11.236
22 5AIP 4HP 11.236
23 2VSU ACO 11.236
24 5KOD IAC 11.2613
25 5NDF UDP 12.3596
26 4OIV XX9 13.5135
27 3PXP MYR 14.6067
28 1T0S BML 19.1011
29 2XMY CDK 19.3694
30 1V5F TPP 20.2247
31 1V5F FAD 20.2247
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