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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 1443 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 1205 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 1039 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 with APoc: 66
This union binding pocket(no: 1) in the query (biounit: 2f2g.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2WAT COA None
2 1ZDT PEF None
3 2LBD REA 0.904977
4 1FCZ 156 0.904977
5 3RDO BTN 1.30719
6 1O6U PLM 1.35747
7 5XGX DAS DLY 1.35747
8 4R81 FMN 1.45631
9 4ZLA BES 1.80995
10 4KCF FMN 1.80995
11 3OND NAD 1.80995
12 3W54 RNB 2.26244
13 1D1G MTX 2.38095
14 1JR8 FAD 2.5641
15 1GQG DCD 2.71493
16 4DK7 0KS 2.71493
17 3TL1 JRO 3.14465
18 1VPV PLM 3.16742
19 2R5E QLP 3.16742
20 2VHW NAI 3.61991
21 4Z5W TYS ILE TYS THR GLN 3.61991
22 5Y02 HBX 3.73832
23 5Y02 MXN 3.73832
24 3H8G BES 4.0724
25 6AD9 KK4 4.0724
26 5Z99 SLB 4.0724
27 2WKQ FMN 4.0724
28 4NSQ COA 4.21053
29 3MBG FAD 4.31655
30 5YU3 PRO 4.52489
31 5YU3 NAD 4.52489
32 1W8S FBP 4.52489
33 1XAP TTB 4.97738
34 3KP6 SAL 5.29801
35 2PR5 FMN 5.30303
36 3LN0 52B 5.42986
37 5TCI 79V 5.42986
38 5H62 UDP 5.88235
39 4O1Z MXM 5.88235
40 2Z6C FMN 6.20155
41 5L2R MLA 6.33484
42 5BNS 4VM 6.33484
43 2ZSC BTN 6.38298
44 5OYH T99 6.73575
45 4BX7 B4F 6.76692
46 3D9F N6C 6.78733
47 4LY9 S6P 6.78733
48 2FR6 URI 6.84932
49 2FR6 CTN 6.84932
50 4B7S QLE 7.23982
51 3E7O 35F 7.23982
52 3PVT 3HC 7.69231
53 2J62 GSZ 7.69231
54 3T50 FMN 7.8125
55 2QCX PF1 8.1448
56 1TO9 HMH 8.1448
57 4NFN 2KC 8.1448
58 4BTK DTQ 8.1448
59 5WX3 COA 10.4072
60 1XVB BHL 10.5882
61 2GTE VA 13.7097
62 1EZV SMA 14.9533
63 4IHL 1F5 25
64 3GWN FAD 26.3158
65 1RTW MP5 42.7273
66 4WG0 CHD 46.6667
Pocket No.: 2; Query (leader) PDB : 2F2G; Ligand: HMH; Similar sites found with APoc: 158
This union binding pocket(no: 2) in the query (biounit: 2f2g.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4TUZ 36J None
2 2QA8 GEN None
3 4MG8 27J None
4 5AAV GW5 None
5 5WGQ EST None
6 5DXE EST None
7 5WGD EST None
8 2BJ4 OHT None
9 4XB4 45D None
10 2HJ3 FAD None
11 3UUD EST None
12 2QE4 JJ3 None
13 2QZO KN1 None
14 4MGD 27N None
15 4MG7 27H None
16 4MGB XDH None
17 4TV1 36M None
18 5AHS COA 1.35747
19 6GBV FMN 1.36986
20 1U3R 338 1.80995
21 1YYE 196 1.80995
22 2I0G I0G 1.80995
23 3OLL EST 1.80995
24 6ARJ SAH 1.80995
25 6ARJ BW4 1.80995
26 1BUC CAA 1.80995
27 2YJD YJD 1.80995
28 3NJ4 AFX 1.80995
29 3OND ADN 1.80995
30 2F99 AKV 1.96078
31 4INW 1EY 2.14286
32 4LSJ LSJ 2.26244
33 3RY9 1CA 2.26244
34 4V24 GYR 2.26244
35 5AGR A52 2.26244
36 1XRO LEU 2.26244
37 2UXI G50 2.38095
38 5EW9 5VC 2.71493
39 1JQI CAA 2.71493
40 3CTY FAD 2.71493
41 4DHY S41 2.71493
42 1YOK P6L 2.71493
43 2QE0 NAP 2.71493
44 3JSX CC2 2.71493
45 3JSX FAD 2.71493
46 3IPQ 965 2.71493
47 4X6X S74 2.71493
48 4GCZ FMN 2.71493
49 1M4I KAN 2.76243
50 1M4I COA 2.76243
51 1M4I PAP 2.76243
52 3P0K FAD 3.16742
53 1D6H COA 3.16742
54 3CAQ NDP 3.16742
55 2E2R 2OH 3.16742
56 6F3M ADN 3.16742
57 5DRB 5FJ 3.16742
58 1U70 MTX 3.22581
59 1U70 NDP 3.22581
60 3GYT DL4 3.61991
61 5K52 OCD 3.61991
62 2C3Q GTX 3.61991
63 1N46 PFA 3.61991
64 4Q9M FPP 3.61991
65 2JFZ 003 3.61991
66 2JFZ DGL 3.61991
67 3ZNN FAD 3.61991
68 3ZNN 4WL 3.61991
69 4Q9M 2ZW 3.61991
70 4P5F AR6 3.61991
71 5U3B 7TD 3.61991
72 3LOO B4P 3.61991
73 2HFK E4H 3.61991
74 4QJK COA 3.61991
75 4IA6 EIC 3.61991
76 2RGX AP5 3.8835
77 5MWY YNU 4.0724
78 4RC8 STE 4.0724
79 2P4Y C03 4.0724
80 5HCV 60R 4.0724
81 5L7G 6QE 4.0724
82 4UDB CV7 4.0724
83 3V49 PK0 4.0724
84 2A3I C0R 4.0724
85 5MBX SP5 4.0724
86 5MBX FAD 4.0724
87 3X0D SAH 4.0724
88 4NE2 SH2 4.0724
89 4NE2 ADP 4.0724
90 3AHQ FAD 4.52489
91 5LIA 6XN 4.52489
92 3T58 FAD 4.52489
93 1G2O IMH 4.52489
94 5DUF G7A 4.52489
95 6ECT SAM 4.52489
96 4UA3 COA 4.63918
97 3U5S FAD 4.7619
98 4PGK Y69 4.97738
99 3JZB 4HY 4.97738
100 5HYR EST 4.97738
101 1F5N GNP 4.97738
102 2GJ3 FAD 5
103 5DEY 59T 5.42986
104 2WM4 VGJ 5.42986
105 2X34 UQ8 5.52486
106 5A4W QCT 5.66038
107 5K53 STE 5.88235
108 1SOW NAD 5.88235
109 2X32 OTP 6.14525
110 1RX0 2MC 6.33484
111 1EP2 ORO 6.78733
112 1EP2 FMN 6.78733
113 1M7Y PPG 6.78733
114 5TDU PCR 7.14286
115 1LRI CLR 7.14286
116 3RMK BML 7.22892
117 3F3E LEU 7.23982
118 2WTX VDO 7.23982
119 2WTX UDP 7.23982
120 1V8B ADN 7.23982
121 2EV1 OLA 7.65766
122 3EWK FAD 7.69231
123 2Q2Y MKR 7.69231
124 2Q2Y ADP 7.69231
125 1ITU CIL 8.1448
126 1SR7 MOF 8.59729
127 4OAR 2S0 8.59729
128 4Y30 SAH 9.04977
129 4Y30 49L 9.04977
130 5WL1 D3D 9.09091
131 1HYH NAD 9.50226
132 4WAS COO 9.50226
133 5ECP ATP 9.95475
134 2H7C COA 10.4072
135 3P7N FMN 10.8597
136 1UVC STE 10.989
137 2P1C GG3 11.3122
138 4A2B AGS 11.3122
139 4A2A ATP 11.3122
140 3LDW IPE 12.2172
141 3LDW ZOL 12.2172
142 4WT2 3UD 12.381
143 3RUG DB6 13.1222
144 4WO4 JLS 13.1222
145 4L1F COS 13.5747
146 5Z84 TGL 14.1176
147 5ZCO TGL 14.1176
148 3CXH SMA 14.9533
149 5CYV WCA 15.0685
150 1OQC FAD 15.2
151 4JGX PLM 16.2791
152 4F97 VDO 16.7421
153 4F97 GDP 16.7421
154 4PSB GA3 16.7742
155 5ICK FEZ 17.6471
156 5LJB RTL 21.4815
157 5MT9 ARG 33.3333
158 5MT9 SRO 33.3333
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