Receptor
PDB id Resolution Class Description Source Keywords
2F2G 2.1 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF GENE PRODUCT FROM ARABIDOPSIS THALIANA AT ARABIDOPSIS THALIANA TENA_THI-4 DOMAIN TENA/THI-4/PQQC FAMILY AT3G16990 STRUCTGENOMICS PROTEIN STRUCTURE INITIATIVE PSI CESG CENTER FOREUKARYOTIC STRUCTURAL GENOMICS CENTER FOR EUKARYOTIC STGENOMICS PLANT PROTEIN
Ref.: CRYSTAL STRUCTURE OF GENE LOCUS AT3G16990 FROM ARAB THALIANA PROTEINS V. 57 221 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HMH A:1300;
B:1301;
Valid;
Valid;
none;
none;
submit data
139.155 C6 H9 N3 O Cc1nc...
SO4 A:1403;
B:1401;
B:1402;
B:1404;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2F2G 2.1 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF GENE PRODUCT FROM ARABIDOPSIS THALIANA AT ARABIDOPSIS THALIANA TENA_THI-4 DOMAIN TENA/THI-4/PQQC FAMILY AT3G16990 STRUCTGENOMICS PROTEIN STRUCTURE INITIATIVE PSI CESG CENTER FOREUKARYOTIC STRUCTURAL GENOMICS CENTER FOR EUKARYOTIC STGENOMICS PLANT PROTEIN
Ref.: CRYSTAL STRUCTURE OF GENE LOCUS AT3G16990 FROM ARAB THALIANA PROTEINS V. 57 221 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2F2G - HMH C6 H9 N3 O Cc1ncc(c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2F2G - HMH C6 H9 N3 O Cc1ncc(c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2F2G - HMH C6 H9 N3 O Cc1ncc(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HMH; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 HMH 1 1
2 NSP 0.628571 0.842105
3 NFM 0.511628 0.804878
4 MP5 0.511111 0.686275
5 PF1 0.5 0.660377
6 YF3 0.458333 0.680851
7 PYD 0.444444 0.657895
8 VIB 0.421053 0.603448
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2F2G; Ligand: HMH; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 2f2g.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2LBD REA 0.01338 0.42537 0.904977
2 4R81 FMN 0.01796 0.4118 1.45631
3 4KCF FMN 0.0104 0.41806 1.80995
4 1VPV PLM 0.01759 0.42234 3.16742
5 4Z5W TYS ILE TYS THR GLN 0.02185 0.40784 3.61991
6 4POJ 2VP 0.04028 0.40033 4.0724
7 3MBG FAD 0.02407 0.4066 4.31655
8 1EM6 NBG 0.04018 0.40852 4.97738
9 2ZSC BTN 0.01378 0.40259 6.38298
10 3E7O 35F 0.0411 0.4007 7.23982
11 1TO9 HMH 0.00000004926 0.66867 8.1448
12 2QCX PF1 0.00000005126 0.61168 8.1448
13 4BTK DTQ 0.009528 0.41963 8.1448
14 2GTE VA 0.02727 0.40631 13.7097
15 1RTW MP5 0.00000000007005 0.70526 42.7273
Pocket No.: 2; Query (leader) PDB : 2F2G; Ligand: HMH; Similar sites found: 50
This union binding pocket(no: 2) in the query (biounit: 2f2g.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BJ4 OHT 0.01439 0.41837 None
2 4XB4 45D 0.02645 0.41654 None
3 3UUD EST 0.01114 0.41522 None
4 2QZO KN1 0.01633 0.41177 None
5 4MGB XDH 0.01686 0.40953 None
6 2I0G I0G 0.01409 0.44209 1.80995
7 3OLL EST 0.00587 0.43619 1.80995
8 2F99 AKV 0.03434 0.40014 1.96078
9 1XRO LEU 0.04665 0.4049 2.26244
10 1D1G MTX 0.02024 0.40211 2.38095
11 3CTY FAD 0.03024 0.42699 2.71493
12 1YOK P6L 0.03161 0.41583 2.71493
13 3JSX CC2 0.024 0.41504 2.71493
14 3JSX FAD 0.01515 0.41504 2.71493
15 4JP3 CIT 0.02325 0.40406 2.71493
16 4GCZ FMN 0.0187 0.40361 2.71493
17 3P0K FAD 0.007489 0.43876 3.16742
18 2E2R 2OH 0.03 0.41294 3.16742
19 1N46 PFA 0.01132 0.42574 3.61991
20 2JFZ 003 0.03871 0.42228 3.61991
21 2C3Q GTX 0.00779 0.4161 3.61991
22 2HFK E4H 0.008078 0.40774 3.61991
23 4IA6 EIC 0.01196 0.40076 3.61991
24 4RC8 STE 0.005426 0.44337 4.0724
25 5L7G 6QE 0.006377 0.43975 4.0724
26 3V49 PK0 0.01131 0.4259 4.0724
27 2A3I C0R 0.01028 0.42365 4.0724
28 3X0D SAH 0.01594 0.40545 4.0724
29 3AHQ FAD 0.0076 0.43627 4.52489
30 3U5S FAD 0.005394 0.4407 4.7619
31 1RX0 2MC 0.03311 0.40441 6.33484
32 1LRI CLR 0.01822 0.40697 7.14286
33 2WTX VDO 0.03613 0.41274 7.23982
34 2WTX UDP 0.03478 0.41274 7.23982
35 1V8B ADN 0.01553 0.40473 7.23982
36 2EV1 OLA 0.01755 0.41233 7.65766
37 3EWK FAD 0.009668 0.43031 7.69231
38 2Q2Y ADP 0.02481 0.42409 7.69231
39 2Q2Y MKR 0.02391 0.42409 7.69231
40 1ITU CIL 0.002237 0.44733 8.1448
41 4Y2H SAH 0.01823 0.43295 9.04977
42 2H7C COA 0.03836 0.43095 10.4072
43 2P1C GG3 0.01828 0.42402 11.3122
44 4A2B AGS 0.02893 0.40487 11.3122
45 4A2A ATP 0.03109 0.40214 11.3122
46 1OQC FAD 0.0154 0.41668 15.2
47 4JGX PLM 0.02488 0.40159 16.2791
48 4F97 VDO 0.03034 0.40454 16.7421
49 4F97 GDP 0.01376 0.40111 16.7421
50 4PSB GA3 0.04491 0.40649 16.7742
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