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Receptor
PDB id Resolution Class Description Source Keywords
2IDO 2.1 Å EC: 2.7.7.7 STRUCTURE OF THE E. COLI POL III EPSILON-HOT PROOFREADING CO ESCHERICHIA COLI POLYMERASE EXONUCLEASE HOT EPSILON POL III TRANSFERASE
Ref.: STRUCTURE OF THE ESCHERICHIA COLI DNA POLYMERASE II EPSILON-HOT PROOFREADING COMPLEX. J.BIOL.CHEM. V. 281 38466 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO C:1000;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MN A:1001;
A:1002;
C:1003;
C:1004;
C:1005;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
TMP A:2001;
C:2002;
Valid;
Valid;
none;
none;
submit data
322.208 C10 H15 N2 O8 P CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IDO 2.1 Å EC: 2.7.7.7 STRUCTURE OF THE E. COLI POL III EPSILON-HOT PROOFREADING CO ESCHERICHIA COLI POLYMERASE EXONUCLEASE HOT EPSILON POL III TRANSFERASE
Ref.: STRUCTURE OF THE ESCHERICHIA COLI DNA POLYMERASE II EPSILON-HOT PROOFREADING COMPLEX. J.BIOL.CHEM. V. 281 38466 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2IDO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2IDO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2IDO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TMP; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 TMP 1 1
2 TYD 0.80597 0.985714
3 TTP 0.760563 0.985714
4 UFP 0.716418 0.917808
5 TBD 0.708333 0.945205
6 BRU 0.705882 0.917808
7 5HU 0.705882 0.957747
8 5IU 0.695652 0.917808
9 THM 0.693548 0.859155
10 LLT 0.693548 0.859155
11 FDM 0.671429 0.931507
12 NYM 0.671429 0.971831
13 THP 0.661972 0.985507
14 TLO 0.654321 0.931507
15 0DN 0.646154 0.84507
16 ATM 0.64 0.906667
17 BVP 0.64 0.957747
18 DAU 0.635294 0.918919
19 DT DT DT 0.634146 0.930556
20 18T 0.623529 0.918919
21 TDX 0.623529 0.931507
22 TRH 0.623529 0.918919
23 3R2 0.623529 0.906667
24 1JB 0.623529 0.918919
25 3YN 0.609195 0.918919
26 T3F 0.609195 0.894737
27 T3Q 0.609195 0.894737
28 DWN 0.609195 0.894737
29 0N2 0.602273 0.883117
30 T46 0.602273 0.918919
31 T3P 0.6 0.957143
32 DT DT DT DT DT 0.597701 0.958333
33 MMF 0.595506 0.894737
34 0FX 0.595506 0.894737
35 AKM 0.593407 0.873418
36 DT DT PST 0.58427 0.881579
37 DU 0.583333 0.956522
38 UMP 0.583333 0.956522
39 QDM 0.582418 0.883117
40 1YF 0.576087 0.906667
41 JHZ 0.576087 0.871795
42 FNF 0.576087 0.906667
43 TXS 0.575342 0.8
44 4TG 0.569892 0.906667
45 T3S 0.56 0.8
46 2DT 0.555556 0.971429
47 ATY 0.548781 0.931507
48 DDN 0.547945 0.956522
49 AZD 0.535714 0.894737
50 FUH 0.53 0.894737
51 QUH 0.53 0.894737
52 T5A 0.524272 0.829268
53 DT ME6 DT 0.509804 0.881579
54 DC 0.506494 0.890411
55 DCM 0.506494 0.890411
56 AZZ 0.5 0.789474
57 4TA 0.495327 0.817073
58 ABT 0.483516 0.871795
59 QBT 0.480519 0.915493
60 WMJ 0.477778 0.75
61 ADS THS THS THS 0.477477 0.767442
62 7SG 0.474138 0.851852
63 TQP 0.474138 0.851852
64 T4K 0.470085 0.841463
65 T5K 0.470085 0.841463
66 DUD 0.469136 0.942857
67 UMC 0.467532 0.901408
68 D3T 0.464286 0.957747
69 TPE 0.463158 0.881579
70 D4M 0.461538 0.927536
71 ID2 0.452055 0.786667
72 UC5 0.451219 0.929577
73 DUT 0.447059 0.942857
74 DUP 0.44186 0.916667
75 DUN 0.440476 0.916667
76 DT MA7 DT 0.42623 0.807229
77 8OG 0.425287 0.82716
78 BVD 0.423077 0.821918
79 74W 0.42 0.72093
80 74X 0.42 0.72093
81 5FU 0.4125 0.84
82 D4D 0.411765 0.914286
83 PAX 0.408333 0.839506
84 YYY 0.406977 0.878378
85 DA DT DA DA 0.404959 0.82716
86 BTD 0.404762 0.759494
87 DPB 0.404494 0.890411
88 5BU 0.402439 0.84
89 DUS 0.4 0.820513
90 3DT 0.4 0.821918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IDO; Ligand: TMP; Similar sites found with APoc: 196
This union binding pocket(no: 1) in the query (biounit: 2ido.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1UVC STE None
2 4WG0 CHD None
3 1T57 FMN 2.15054
4 1GEE NAD 2.68817
5 1UNH IXM 2.68817
6 1SR7 MOF 2.68817
7 1WN3 HXC 2.94118
8 4RFM 3P6 3.22581
9 5F5N NAD 3.61446
10 1EBG PAH 3.61446
11 1P9P SAH 3.76344
12 3TKI S25 3.76344
13 2RDG NDG FUC SIA GAL 3.76344
14 2J7T 274 3.76344
15 1UU6 BGC BGC BGC BGC 3.76344
16 2HY0 306 3.76344
17 3S6X SIA GAL BGC 3.76344
18 5JGA 6KC 4.81928
19 2J8C SPO 4.81928
20 2J8C U10 4.81928
21 4AVO BGC BGC BGC BGC BGC BGC 4.81928
22 2GQ2 NAP 4.83871
23 4TWP AXI 4.83871
24 2AF6 FAD 4.83871
25 1OPK P16 4.83871
26 3GMB FAD 4.83871
27 2P3I MNA 4.96894
28 3T6E UQ9 5.37634
29 3E8N ATP 5.37634
30 3E8N VRA 5.37634
31 2C6Q NDP 5.37634
32 3SLS ANP 5.37634
33 4ZGS NAD 5.37634
34 1KQR MNA 5.58659
35 5IXK 6EW 5.91398
36 5APK 76E 5.91398
37 6ESN BWE 5.91398
38 5NTW 98N 5.91398
39 4WPF 3SN 5.91398
40 4EOX 0S5 5.91398
41 2HBL AMP 6.0241
42 4WNP 3RJ 6.0241
43 5AZC PGT 6.0241
44 2RC5 FAD 6.0241
45 3MHP FAD 6.0241
46 5U6C 7YS 6.0241
47 2GQT FAD 6.45161
48 2ZKJ ADP 6.45161
49 2AX9 BHM 6.45161
50 2RDE C2E 6.45161
51 3KYG 5GP 5GP 6.45161
52 5DH3 5BS 6.45161
53 4XT8 NAP 6.98925
54 3JRS A8S 6.98925
55 2FZH DH1 6.98925
56 5FBN 5WF 6.98925
57 3PP0 03Q 6.98925
58 4NS3 NAD 6.98925
59 3V66 D3A 7.22892
60 5B48 TDN 7.22892
61 6GMN F4E 7.22892
62 1OZH HE3 7.22892
63 2C43 COA 7.22892
64 2Q7D ANP 7.22892
65 2CWH NDP 7.52688
66 2GOU FMN 7.52688
67 2X2M X2M 7.64331
68 4OKE AMP 7.7381
69 3STD MQ0 7.87879
70 3CNL GNP 8.06452
71 3NW7 LGV 8.43373
72 4ELG 52J 8.43373
73 3WCA FPS 8.60215
74 6GIN IR2 8.60215
75 5VC5 96M 9.13978
76 4EN4 GT0 9.13978
77 2GBB CIT 9.61539
78 1ZCB GDP 9.63855
79 4BXK 1IU 9.63855
80 4M0R 644 9.63855
81 4B7P 9UN 9.63855
82 4OIC A8S 9.63855
83 4YZC STU 9.63855
84 1NME 159 9.63855
85 3DEK RXD 9.63855
86 6H21 UD1 9.63855
87 4LA7 A1O 9.67742
88 1CTU ZEB 9.86395
89 4P6X HCY 10.2151
90 1JR8 FAD 10.2564
91 1OUW MLT 10.5263
92 3ABA FLI 10.7527
93 5WNL STU 10.7527
94 1GP2 GDP 10.8434
95 6ADI NDP 10.8434
96 2OM2 GDP 10.8434
97 5N6C NAD 10.8434
98 4HCX NDP 10.8434
99 1UPF URF 10.8434
100 1SVK ALF GDP 10.8434
101 5UMY TNN 10.8434
102 4AUA 4AU 10.8434
103 5MOB A8S 11.2903
104 4UP3 FAD 11.2903
105 5UR6 8KM 11.6022
106 1N20 3AG 11.828
107 5MW4 5JU 12.0482
108 2D5X L35 12.0482
109 3C3N FMN 12.0482
110 3AB1 FAD 12.0482
111 3NMV PYV 12.0482
112 5IBP ACE ASP GLU VAL ASP 0QE 12.0482
113 4MCC 21X 12.3656
114 1CMC SAM 12.5
115 3D78 NBB 12.605
116 1U70 MTX 13.253
117 1U70 NDP 13.253
118 1KBJ FMN 13.253
119 1PVN MZP 13.253
120 1KBI FMN 13.253
121 1KBI PYR 13.253
122 1EP2 ORO 13.253
123 5HCY 60D 13.253
124 1EP2 FMN 13.253
125 1D1G NDP 13.253
126 3VRY B43 13.253
127 4RJK TPP 13.253
128 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 13.253
129 1T36 ORN 13.4409
130 4ZEV M6P 13.9785
131 2W9S NDP 14.2857
132 1KQ4 FAD 14.4578
133 1DL5 SAH 14.4578
134 2WJH FLC 14.4578
135 5N87 N66 14.5161
136 3HMO STU 14.5161
137 5JO1 6LM 15.6627
138 4DS8 A8S 15.6627
139 4I4Z 2NE 15.6627
140 3RG9 NDP 15.6627
141 3OJI PYV 15.6627
142 3RI1 3RH 15.6627
143 5MTE BB2 15.6627
144 5X1M DHB 15.6627
145 1DDG FAD 15.6627
146 3DOE GTP 15.6627
147 4CZG QH3 16.6667
148 4CZG ADP 16.6667
149 4BR5 ANP 16.8675
150 2H8H H8H 16.8675
151 3G5D 1N1 16.8675
152 3P9T TCL 16.8675
153 1ZC3 GNP 17.6991
154 4GU5 FAD 18.0723
155 3GC8 B45 18.0723
156 3T34 GDP 18.0723
157 5WHT SIA 18.0723
158 2H7C COA 18.0723
159 4DQL FAD 18.0723
160 4DQL NAP 18.0723
161 4EUU BX7 18.0723
162 1KOJ PAN 18.0723
163 1KPG 16A 18.0723
164 5WHT SIA GAL GLC 18.0723
165 5M45 AMP 18.0723
166 4HDQ GNP 19.2308
167 3KDJ A8S 19.2771
168 4AG8 AXI 19.2771
169 6CZ3 FLJ 19.2771
170 4J6C STR 19.2771
171 3VO1 FAD 19.2771
172 4O1M NAD 19.3548
173 1W0H AMP 20.4301
174 4M52 FAD 20.4301
175 6A46 DCM 20.4819
176 3SFI 3SF 20.4819
177 1SM4 FAD 20.4819
178 5KMS FAD 21.5054
179 2V58 LZJ 21.6867
180 3PTG 932 21.6867
181 2UXR ICT 21.6867
182 3UA1 08Y 23.1183
183 3AMN CBI 27.7108
184 3AMN CBK 27.7108
185 3E70 GDP 27.7108
186 4BHN BH9 28.9157
187 3B6O TMP 29.0323
188 4FF8 14S 30.1205
189 1WLJ U5P 31.1828
190 2VUT NAD 31.3253
191 3T58 FAD 32.7957
192 5NI5 8YB 33.3333
193 2WIC GNP 33.7349
194 4P4T GDP 36.1446
195 4J7Q B7N 39.759
196 6EMU SAM 39.759
Pocket No.: 2; Query (leader) PDB : 2IDO; Ligand: TMP; Similar sites found with APoc: 87
This union binding pocket(no: 2) in the query (biounit: 2ido.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1O9W NAG None
2 5N8V KZZ None
3 5OWC AYZ None
4 5JNN 6LM 1.6129
5 4WOP CTP 2.15054
6 3G9E RO7 2.68817
7 5CHR 4NC 2.91971
8 4RHP PEF 3.76344
9 5TA6 79D 3.76344
10 4RI1 ACO 3.76344
11 5U5N NAD 4.81928
12 4USF 6UI 4.81928
13 4IGH ORO 4.83871
14 4IGH FMN 4.83871
15 4IGH 1EA 4.83871
16 4DXG NDG FUC SIA GAL 4.83871
17 4WQQ MAN 4.96454
18 5WHU SIA GAL 5.36913
19 4OOE NDP 5.37634
20 4OOE FOM 5.37634
21 6APV 3L4 5.37634
22 1EBL COA 6.0241
23 4CD5 BMA MVL 6.98925
24 5N9T 8QQ 7.22892
25 3EBL GA4 7.22892
26 3W68 VIV 7.52688
27 1QZY TDE 7.52688
28 1TB3 FMN 8.43373
29 5KKA 6V0 8.43373
30 3WUR O4B 8.43373
31 4KCF AKM 8.43373
32 4QWT ACD 8.43373
33 4TL6 ANP 8.60215
34 3KV8 FAH 8.63309
35 5C2H 4XU 9.13978
36 1OBD AMP 9.13978
37 1ZDU P3A 9.63855
38 1YOK P6L 9.63855
39 5UR1 YY9 9.63855
40 5UNJ RJW 9.63855
41 4XSH NAI 9.63855
42 6C1R EFD 9.63855
43 1YUC EPH 9.63855
44 1EC9 XYH 9.63855
45 5G57 6M5 9.67742
46 5G3N X28 10.2362
47 3BZ3 YAM 10.8434
48 5XFV FMN 10.8434
49 1PNO NAP 10.8434
50 4WVO 3UZ 11.6022
51 1B8O IMH 11.828
52 3SQP 3J8 11.828
53 1F0X FAD 12.0482
54 1ZED PNP 12.0482
55 4DV8 0LX 12.0482
56 4WZH FMN 12.0482
57 3RUU 37G 12.9032
58 5ICK FEZ 12.9032
59 4Y30 SAH 13.253
60 5NM7 GLY 13.253
61 4I42 1HA 13.253
62 6CHP F0Y 13.253
63 6C92 EQJ 13.253
64 6C8T EQJ 13.253
65 5OJI ISN 14.4578
66 4X7G 3Y8 14.4578
67 4DJA FAD 15.6627
68 4DJA DLZ 15.6627
69 4ZOH MCN 16.8675
70 5ZI2 NAD 16.8675
71 3BIY 01K 17.2043
72 2ZCQ B65 18.0723
73 2O4J VD4 18.0723
74 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 18.0723
75 1GOT GDP 19.1781
76 1XVB BHL 19.2771
77 1R5L VIV 19.2771
78 1YKD CMP 19.2771
79 5U97 PIT 19.2771
80 3BEJ MUF 20
81 4OHU 2TK 21.6867
82 4OHU NAD 21.6867
83 5X2Z 3LM 22.8916
84 1V2X SAM 24.7312
85 4OKZ 3E9 25.3012
86 5U75 SIA GAL NDG FUC 27.7108
87 3ET1 ET1 31.25
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