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Receptor
PDB id Resolution Class Description Source Keywords
2Q4X 2.1 Å NON-ENZYME: OTHER ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF GENE FROM ARABIDOPSIS THALIANA AT3G16990 ARABIDOPSIS THALIANA ENSEMBLE REFINEMENT REFINEMENT METHODOLOGY DEVELOPMENT TENDOMAIN TENA/THI-4/PQQC FAMILY AT3G16990 STRUCTURAL GENOMPROTEIN STRUCTURE INITIATIVE PSI CENTER FOR EUKARYOTIC STGENOMICS CESG PLANT PROTEIN
Ref.: ENSEMBLE REFINEMENT OF PROTEIN CRYSTAL STRUCTURES: VALIDATION AND APPLICATION. STRUCTURE V. 15 1040 2007
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
2Q4X 2.1 Å NON-ENZYME: OTHER ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF GENE FROM ARABIDOPSIS THALIANA AT3G16990 ARABIDOPSIS THALIANA ENSEMBLE REFINEMENT REFINEMENT METHODOLOGY DEVELOPMENT TENDOMAIN TENA/THI-4/PQQC FAMILY AT3G16990 STRUCTURAL GENOMPROTEIN STRUCTURE INITIATIVE PSI CENTER FOR EUKARYOTIC STGENOMICS CESG PLANT PROTEIN
Ref.: ENSEMBLE REFINEMENT OF PROTEIN CRYSTAL STRUCTURES: VALIDATION AND APPLICATION. STRUCTURE V. 15 1040 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2Q4X - 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 2Q4X - 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 2Q4X - 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 : 2Q4X; Ligand: HMH; Similar sites found with APoc: 166
This union binding pocket(no: 1) in the query (biounit: 2q4x.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2HJ3 FAD None
2 4XB4 45D None
3 4MG8 27J None
4 4TUZ 36J None
5 5WGQ EST None
6 5WGD EST None
7 5DXE EST None
8 4MGB XDH None
9 1ZDT PEF None
10 2QA8 GEN None
11 4MGD 27N None
12 4MG7 27H None
13 5AAV GW5 None
14 2WAT COA None
15 4TV1 36M None
16 2BJ4 OHT None
17 3UUD EST None
18 2QZO KN1 None
19 4HMT NNV 0.904977
20 4HMT FMN 0.904977
21 5EYG NAP 0.904977
22 1T9M FMN 0.934579
23 6GBV FMN 1.36986
24 4R81 FMN 1.45631
25 1U3R 338 1.80995
26 2I0G I0G 1.80995
27 1YYE 196 1.80995
28 1BUC CAA 1.80995
29 3OLL EST 1.80995
30 6ARJ SAH 1.80995
31 2YJD YJD 1.80995
32 1YMT DR9 1.80995
33 3W54 RNB 2.26244
34 1XRO LEU 2.26244
35 3RY9 1CA 2.26244
36 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.26244
37 4LSJ LSJ 2.26244
38 5B4B LP5 2.26244
39 2UXI G50 2.38095
40 1JQ9 PHE LEU SER TYR LYS 2.47934
41 1JR8 FAD 2.5641
42 5EW9 5VC 2.71493
43 1JQI CAA 2.71493
44 2Q1H AS4 2.71493
45 3CTY FAD 2.71493
46 4C3Y ANB 2.71493
47 4C3Y FAD 2.71493
48 4DHY S41 2.71493
49 2QE0 NAP 2.71493
50 4GCZ FMN 2.71493
51 4WPF 3SN 2.71493
52 1TV5 N8E 2.71493
53 5NTW 98N 2.71493
54 1M4I KAN 2.76243
55 1M4I COA 2.76243
56 1M4I PAP 2.76243
57 3P0K FAD 3.16742
58 3QCP FAD 3.16742
59 5DRB 5FJ 3.16742
60 4IS0 1R4 3.16742
61 4PFC 2QX 3.16742
62 3GYT DL4 3.61991
63 5U3B 7TD 3.61991
64 2JFZ 003 3.61991
65 2JFZ DGL 3.61991
66 2C3Q GTX 3.61991
67 1N46 PFA 3.61991
68 5K52 OCD 3.61991
69 2VHW NAI 3.61991
70 4ER2 IVA VAL VAL STA ALA STA 3.61991
71 1PZG A3D 3.61991
72 3AGC RCC 3.61991
73 4Q9M 2ZW 3.61991
74 5Y02 HBX 3.73832
75 2FXD DR7 4.0404
76 4OHU 2TK 4.0724
77 4OHU NAD 4.0724
78 2AX9 BHM 4.0724
79 4RC8 STE 4.0724
80 3V49 PK0 4.0724
81 5HCV 60R 4.0724
82 5L7G 6QE 4.0724
83 5MWY YNU 4.0724
84 3FUR Z12 4.0724
85 6AD9 KK4 4.0724
86 5MBX SP5 4.0724
87 5MBX FAD 4.0724
88 4NE2 ADP 4.0724
89 2P4Y C03 4.0724
90 4UDB CV7 4.0724
91 3MBG FAD 4.31655
92 5LIA 6XN 4.52489
93 3T58 FAD 4.52489
94 3AHQ FAD 4.52489
95 2X24 X24 4.52489
96 6C7D EOJ 4.52489
97 1G2O IMH 4.52489
98 3U5S FAD 4.7619
99 3O55 FAD 4.8
100 1YRX FMN 4.95868
101 4PGK Y69 4.97738
102 3JZB 4HY 4.97738
103 5HYR EST 4.97738
104 4KWD JF2 4.97738
105 2GJ3 FAD 5
106 3G08 FEE 5.05051
107 2PR5 FMN 5.30303
108 3LN0 52B 5.42986
109 5DEY 59T 5.42986
110 5TCI 79V 5.42986
111 5K53 STE 5.88235
112 3OV6 MK0 5.88235
113 4DE3 DN8 5.88235
114 4EI7 GDP 5.88235
115 4N9I PCG 6.19048
116 5L2R MLA 6.33484
117 1RX0 2MC 6.33484
118 4CRL C1I 6.33484
119 4LY9 S6P 6.78733
120 5TT5 NAD 6.78733
121 3RMK BML 7.22892
122 3FC4 EDO 7.23982
123 4F7E 0SH 7.23982
124 5LX9 OLB 7.23982
125 4JZX 476 7.23982
126 4JZB P2H 7.23982
127 3GZ9 D32 7.69231
128 3T50 FMN 7.8125
129 4XJC TTP 7.9096
130 2QCX PF1 8.1448
131 1TO9 HMH 8.1448
132 1ITU CIL 8.1448
133 3GWL FAD 8.49057
134 1SR7 MOF 8.59729
135 4OAR 2S0 8.59729
136 5WL1 CUY 9.09091
137 5WL1 D3D 9.09091
138 1HYH NAD 9.50226
139 1FK5 OLA 9.67742
140 2H7C COA 10.4072
141 4Q0A 4OA 10.4072
142 4DXJ 0M9 10.4072
143 5GRM 1SY 10.4762
144 1XVB BHL 10.5882
145 1UVC STE 10.989
146 2P1C GG3 11.3122
147 3LDW ZOL 12.2172
148 3LDW IPE 12.2172
149 4EES FMN 13.0435
150 3RUG DB6 13.1222
151 4WO4 JLS 13.1222
152 4L1F COS 13.5747
153 3LLI FAD 14.0271
154 2DYR TGL 14.1176
155 2DYS TGL 14.1176
156 5ZCO TGL 14.1176
157 3CXH SMA 14.9533
158 5CYV WCA 15.0685
159 1OQC FAD 15.2
160 3GDN HBX 15.3846
161 4PSB GA3 16.7742
162 5ICK FEZ 17.6471
163 5LJ0 6XX 17.6923
164 4WGF HX2 18.5366
165 3GWN FAD 26.3158
166 1RTW MP5 42.7273
Pocket No.: 2; Query (leader) PDB : 2Q4X; Ligand: HMH; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 2q4x.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2LBD REA 0.904977
2 4KCF FMN 1.80995
3 2F99 AKV 1.96078
4 2O07 MTA 2.26244
5 1D1G MTX 2.38095
6 4MOP 2H5 2.71493
7 3EWC MCF 3.16742
8 2R5C C6P 3.16742
9 2R5E QLP 3.16742
10 5F2K SAH 3.61991
11 5F2K OCA 3.61991
12 2WUF KEM 3.61991
13 5Y02 MXN 3.73832
14 4QGE 35O 4.52489
15 3QP8 HL0 4.8913
16 2PHN GDP 4.97738
17 5ABH YWN 4.97738
18 2CJP VPR 5.42986
19 3HAZ FAD 5.88235
20 4EJ1 FOL 5.97015
21 2FR6 URI 6.84932
22 2FR6 CTN 6.84932
23 4NBU CAA 7.2
24 2XCG XCG 7.69231
25 4NFN 2KC 8.1448
26 4BTK DTQ 8.1448
27 1W78 ADP 8.59729
28 1W78 PD8 8.59729
29 3DER ALA LYS 8.59729
30 3KDJ A8S 9.40594
31 5WX3 COA 10.4072
32 4OGN 2U5 12.381
33 1V08 NTZ 12.6697
34 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 13.1222
35 2GTE VA 13.7097
36 3RDE OYP 14.0271
37 3CH6 NAP 14.9321
38 3CH6 311 14.9321
39 4IHL 1F5 25
40 5MT9 SRO 33.3333
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