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Receptor
PDB id Resolution Class Description Source Keywords
4N02 1.4 Å EC: 5.3.3.2 TYPE 2 IDI FROM S. PNEUMONIAE STREPTOCOCCUS PNEUMONIAE TIM BARREL ISOMERASE
Ref.: DETERMINATION OF KINETICS AND THE CRYSTAL STRUCTURE NOVEL TYPE 2 ISOPENTENYL DIPHOSPHATE: DIMETHYLALLYL DIPHOSPHATE ISOMERASE FROM STREPTOCOCCUS PNEUMONIAE CHEMBIOCHEM V. 15 1452 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:401;
A:402;
A:403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
FNR A:404;
Valid;
none;
submit data
458.36 C17 H23 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N02 1.4 Å EC: 5.3.3.2 TYPE 2 IDI FROM S. PNEUMONIAE STREPTOCOCCUS PNEUMONIAE TIM BARREL ISOMERASE
Ref.: DETERMINATION OF KINETICS AND THE CRYSTAL STRUCTURE NOVEL TYPE 2 ISOPENTENYL DIPHOSPHATE: DIMETHYLALLYL DIPHOSPHATE ISOMERASE FROM STREPTOCOCCUS PNEUMONIAE CHEMBIOCHEM V. 15 1452 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4N02 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4N02 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4N02 - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FNR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FNR 1 1
2 FDA 0.532258 0.892857
3 4LS 0.525773 0.961538
4 4LU 0.480769 0.903614
5 FMN 0.444444 0.909091
6 4MJ 0.418033 0.914634
7 VNR 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N02; Ligand: FNR; Similar sites found with APoc: 227
This union binding pocket(no: 1) in the query (biounit: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2OG7 AHB 1.12045
2 4UZI IMD 1.40056
3 4AVV CD 1.47059
4 1LYX PGA 1.6129
5 4XDA ADP 1.61812
6 2HSA FMN 1.68067
7 1FDJ 2FP 1.68067
8 1FDJ 13P 1.68067
9 1YQT ADP 1.68067
10 3K6V CIT 1.69492
11 4HE2 AMP 1.77515
12 4MJ0 SIA SIA 1.81818
13 2Y7P SAL 1.83486
14 4QNW FMN 1.96078
15 2Q3O FMN 1.96078
16 4JIQ 1L5 1.96078
17 4JIQ FMN 1.96078
18 2GOU FMN 1.96078
19 2JHP GUN 1.96078
20 1U1W 3HA 1.96078
21 1RRC ADP 1.99336
22 1TRD PGH 2
23 1Z42 FMN 2.07101
24 1Z44 FMN 2.07101
25 1Z48 FMN 2.07101
26 1Z41 FMN 2.07101
27 2BQP GLC 2.13675
28 4Z1D PEP 2.17391
29 3ATY FMN 2.2409
30 1UAS GLA 2.2409
31 3HF3 FMN 2.29226
32 5A5W GUO 2.37154
33 5AHO TLA 2.38095
34 4TMC FMN 2.52101
35 1TV5 FMN 2.52101
36 4TMC HBA 2.52101
37 1GTE FMN 2.52101
38 1GTE IUR 2.52101
39 2H8Z 8CM 2.52101
40 2H8Z FMN 2.52101
41 1KTC NGA 2.52101
42 2R5V HHH 2.52101
43 5CB8 ADX 2.53807
44 2F5X ASP 2.5641
45 2F6U CIT 2.5641
46 3OIX FMN 2.6087
47 5WQJ 7N3 2.6936
48 5HYR EST 2.71318
49 1Q6O LG6 2.77778
50 4YMZ 13P 2.78884
51 4A3U FMN 2.80112
52 4M5P FMN 2.80112
53 6C4A PYR 2.80112
54 1OX5 1PR 2.80112
55 2AWN ADP 2.80112
56 1TDF FAD 2.80112
57 3KIF GDL 2.83019
58 6GKV F2W 2.849
59 6BKA FMN 2.94118
60 1YXM ADE 2.9703
61 5AHN IMP 3.08123
62 2BIF F6P 3.08123
63 2HIM ASN 3.08123
64 1RGE 2GP 3.125
65 4REF 3N0 3.125
66 4XP7 FNR 3.17919
67 5BWD FUM 3.36134
68 5A0U CHT 3.36134
69 3HUN ZZ7 3.36134
70 1W3T 3GR 3.40136
71 4UMA GZ3 3.4188
72 4XCP PLM 3.52941
73 3KDM TES 3.55556
74 4IGH 1EA 3.64146
75 4IGH ORO 3.64146
76 4IGH FMN 3.64146
77 1UUO ORO 3.64146
78 1UUO BRF 3.64146
79 1UUO FMN 3.64146
80 3DG6 MUC 3.64146
81 2YPI PGA 3.64372
82 6BVE PGA 3.67347
83 6HKE LMR 3.77358
84 6HKE MLT 3.77358
85 5N0L ILE 3.77358
86 3NC9 TR3 3.83387
87 2GJP MAL 3.92157
88 4UTU LRY 3.93013
89 4UTW RFW 3.93013
90 5NGZ 2BG 4.06091
91 4QM7 GTP 4.09357
92 3P7G MAN 4.10959
93 1VYP FMN 4.20168
94 1VYP TNF 4.20168
95 5JQ1 ZPF 4.20168
96 4G86 BNT 4.22535
97 4C25 13P 4.24528
98 5K21 6QF 4.25532
99 1B09 PC 4.36893
100 1MFI FHC 4.38596
101 1MID LAP 4.3956
102 1SW0 PGA 4.43548
103 1DJN FMN 4.48179
104 6H45 QEI 4.48179
105 3W9Z FMN 4.65839
106 5OCS FMN 4.7619
107 1PS9 FMN 4.7619
108 2ZUX RAM 4.7619
109 4K7O EKZ 4.7619
110 3TAO PGH 4.86891
111 1USI PHE 4.91329
112 4JEJ 1GP 4.91803
113 5X80 SAL 5
114 2FLI DX5 5
115 1VHN FMN 5.03145
116 1OYB HBA 5.04202
117 1OYB FMN 5.04202
118 4Q4K FMN 5.04202
119 2R14 FMN 5.04202
120 2R14 TXD 5.04202
121 5MPT SAH 5.04202
122 3E3U NVC 5.07614
123 4EWN 0VR 5.13834
124 1P77 ATR 5.14706
125 2Q3R FMN 5.32213
126 4ORM ORO 5.32213
127 4ORM 2V6 5.32213
128 4ORM FMN 5.32213
129 1F76 FMN 5.35714
130 2VVM PRO 5.45455
131 1H5R G1P 5.46075
132 3MI3 LYS 5.60224
133 4A91 GLU 5.7047
134 1V1A ADP 5.82524
135 1EWK GLU 6.16247
136 5XFV FMN 6.28743
137 3QH2 3NM 6.33484
138 3EXS 5RP 6.33484
139 1TL2 NDG 6.35593
140 1ICP FMN 6.44258
141 4CW5 FMN 6.44258
142 3A23 GAL 6.44258
143 5W0N UPU 6.44258
144 2QGI UDP 6.45161
145 1IGW PYR 6.72269
146 4K10 NI9 6.72269
147 3C3N FMN 6.73077
148 2BTM PGA 6.74603
149 4WZH FMN 6.91643
150 3MJY IJZ 6.93642
151 3MJY FMN 6.93642
152 1T0S BML 6.97674
153 2PZE ATP 6.9869
154 3KRU FMN 7.0028
155 5L2R MLA 7.0028
156 2VAR AMP 7.02875
157 4JEM C5P 7.05882
158 4NAE 1GP 7.11111
159 4JCA CIT 7.18563
160 2GJN NIS 7.31707
161 2GJN FMN 7.31707
162 1UPR 4IP 7.31707
163 4OHB 5HM 7.36842
164 2DBX GLU 7.36842
165 4HBM 0Y7 7.5
166 4BI7 PGA 7.7821
167 2JK0 ASP 8
168 2HPL ASP ASP LEU TYR GLY 8
169 1NJJ GET 8.12325
170 1FQK ALF 8.16327
171 1FQJ ALF 8.16327
172 5E9G GLV 8.40336
173 3M0J OAF 8.40336
174 5CSS G3P 8.40708
175 4M26 AKG 8.68347
176 5C1M 4VO 8.8
177 1GT4 UNA 8.80503
178 2O66 FLC 8.88889
179 1VKF CIT 9.04255
180 4HPP GLU 9.2437
181 1O68 KIV 9.45455
182 2TPS TPS 9.69163
183 4RL4 PPV 9.90566
184 1QDS PGA 9.96016
185 2VHL GLP 10.084
186 2Y88 2ER 10.2459
187 6BFG FMN 10.6443
188 2RDT FMN 10.6443
189 1P4C FMN 10.6443
190 2RDT 2RD 10.6443
191 5TH5 MET 10.6464
192 1M3U KPL 10.9848
193 2JCB ADP 11
194 2Z6I FMN 11.1446
195 4ZVV NAD 11.1446
196 4ZVV GN0 11.1446
197 4M3P HCS 11.2045
198 3B0P FMN 11.4286
199 2Z6J FMN 11.747
200 5EYW PGA 12.0482
201 4I9A NCN 12.8472
202 4IMO PWZ 13.0682
203 6DVH FMN 13.1653
204 2NLI LAC 13.4454
205 2NLI FMN 13.4454
206 1OFD AKG 14.5658
207 1OFD FMN 14.5658
208 5C2N NAG 14.5833
209 3BW2 FMN 14.6341
210 5GVH FMN 14.6497
211 5C79 PBU 14.6667
212 1SQL GUN 15.7534
213 4GV8 DUP 15.9763
214 1OVD ORO 16.0772
215 1OVD FMN 16.0772
216 1AL8 FMN 17.6471
217 1AL8 DHP 17.6471
218 2NGR AF3 17.801
219 1EP2 FMN 21.4559
220 1EP2 ORO 21.4559
221 5ZZO FLC 22.3881
222 1LES GLC FRU 25.9669
223 5YW5 ADE 30.1676
224 1KBJ FMN 36.6947
225 1KBI FMN 36.6947
226 1KBI PYR 36.6947
227 1TB3 FMN 38.3523
Pocket No.: 2; Query (leader) PDB : 4N02; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4N02; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4N02; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4n02.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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