Receptor
PDB id Resolution Class Description Source Keywords
2WDQ 2.4 Å EC: 1.3.99.1 E. COLI SUCCINATE:QUINONE OXIDOREDUCTASE (SQR) WITH CARBOXIN BOUND ESCHERICHIA COLI SUCCINATE DEHYDROGENASE ACTIVITY CELL INNER MEMBRANE TRICAACID CYCLE CELL MEMBRANE METAL-BINDING TRANSMEMBRANE TRIRON-SULFUR FLAVOPROTEIN OXIDOREDUCTASE ELECTRON TRANSPOIRON HEME MEMBRANE
Ref.: STRUCTURE OF ESCHERICHIA COLI SUCCINATE:QUINONE OXIDOREDUCTASE WITH AN OCCUPIED AND EMPTY QUINONE-SITE. J.BIOL.CHEM. V. 284 29836 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CBE C:1130;
G:1130;
K:1130;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
235.302 C12 H13 N O2 S CC1=C...
F3S B:304;
F:304;
J:304;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
295.795 Fe3 S4 S1[Fe...
FAD A:601;
E:601;
I:601;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES B:302;
F:302;
J:302;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
HEM C:1129;
G:1129;
K:1129;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
NA A:1590;
E:1590;
I:1590;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
SF4 B:303;
F:303;
J:303;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
SO4 A:1591;
E:1591;
I:1591;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TEO A:1589;
E:1589;
I:1589;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
132.072 C4 H4 O5 C(=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WDQ 2.4 Å EC: 1.3.99.1 E. COLI SUCCINATE:QUINONE OXIDOREDUCTASE (SQR) WITH CARBOXIN BOUND ESCHERICHIA COLI SUCCINATE DEHYDROGENASE ACTIVITY CELL INNER MEMBRANE TRICAACID CYCLE CELL MEMBRANE METAL-BINDING TRANSMEMBRANE TRIRON-SULFUR FLAVOPROTEIN OXIDOREDUCTASE ELECTRON TRANSPOIRON HEME MEMBRANE
Ref.: STRUCTURE OF ESCHERICHIA COLI SUCCINATE:QUINONE OXIDOREDUCTASE WITH AN OCCUPIED AND EMPTY QUINONE-SITE. J.BIOL.CHEM. V. 284 29836 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2WDQ - TEO C4 H4 O5 C(=C(O)/[O....
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 2WDQ - TEO C4 H4 O5 C(=C(O)/[O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WDQ - TEO C4 H4 O5 C(=C(O)/[O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CBE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CBE 1 1
Ligand no: 2; Ligand: TEO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TEO 1 1
2 TTN 0.409091 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WDQ; Ligand: CBE; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 2wdq.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FAL SKT 0.04528 0.42098 5.13393
2 5FAL COA 0.04528 0.42098 5.13393
3 1OLM VTQ 0.03574 0.4036 5.21739
4 3S7O LBV 0.02286 0.41958 6.08696
5 4M8E 29V 0.01777 0.4159 6.08696
6 4POJ 2VP 0.02866 0.40578 6.08696
7 3Q9T FAY 0.02684 0.42267 6.95652
8 4J7N GTG 0.02315 0.40954 7.14286
9 5X1M DHB 0.008367 0.44228 9.30233
10 5X1M THG 0.009251 0.4407 9.30233
11 3UVD MB3 0.01405 0.40614 9.67742
12 3WMX THR 0.01964 0.40134 10.084
13 5FBN 5WF 0.03624 0.40759 10.4348
14 2E2R 2OH 0.03726 0.41169 10.5042
15 4R33 TRP 0.03981 0.40847 10.8527
16 4R33 SAH 0.03981 0.40847 10.8527
17 4OKZ 3E9 0.01755 0.41715 11.3043
18 3QXQ CE5 0.0179 0.40175 11.3043
19 4JEM C5P 0.008915 0.42776 12.3529
20 2HZL PYR 0.009604 0.41032 14.7287
21 2IV3 UDP 0.018 0.41084 14.7826
22 3V49 PK0 0.02785 0.40836 20.8696
23 2UUU PL3 0.03711 0.42905 24.3478
24 2UUU FAD 0.0316 0.42905 24.3478
25 5BVE 4VG 0.03441 0.43099 27.1318
Pocket No.: 2; Query (leader) PDB : 2WDQ; Ligand: TEO; Similar sites found: 29
This union binding pocket(no: 2) in the query (biounit: 2wdq.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CWH NDP 0.00815 0.4396 3.79009
2 2CWH PYC 0.01008 0.4396 3.79009
3 2ZB3 NDP 0.04374 0.40064 4.24929
4 5E4R NAP 0.02166 0.41703 6.08696
5 5UWP GNP 0.01577 0.42174 6.20155
6 5DI9 GNP 0.01608 0.42129 6.20155
7 5UWS GNP 0.01935 0.41705 6.20155
8 2Z49 AMG 0.03143 0.40612 6.94444
9 2Z48 NGA 0.03773 0.40047 6.94444
10 1EBG PAH 0.02386 0.40158 6.95652
11 3VC3 C6P 0.02816 0.40569 7.82609
12 5DNK SAH 0.005769 0.42204 8.40336
13 4K49 HFQ 0.04825 0.40275 9.56522
14 4LXQ FON 0.04747 0.40515 10.084
15 1OFU GDP 0.01413 0.41502 10.3125
16 3WYF GTP 0.01679 0.42031 10.4348
17 1J0D 5PA 0.01683 0.41888 10.4348
18 5DWQ SFG 0.02652 0.40413 10.4348
19 1V9N NDP 0.0334 0.4104 10.8527
20 3NW7 LGV 0.04526 0.41339 12.4031
21 2XVM SAH 0.01944 0.40036 12.5628
22 1YAG ATP 0.02624 0.40587 12.8
23 3K56 IS3 0.03077 0.41549 16.5217
24 2FF3 ATP 0.02396 0.4032 18
25 5EYP GTP 0.02037 0.41586 18.6047
26 5HTL C2E 0.0162 0.41365 25.5172
27 2A40 ATP 0.01946 0.40787 26.087
28 2A42 ATP 0.02732 0.40026 26.087
29 1KNR FAD 0.01081 0.44526 48.1481
Pocket No.: 3; Query (leader) PDB : 2WDQ; Ligand: CBE; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 2wdq.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B9Q ATP 0.02919 0.40045 5.21739
2 1CJW COT 0.0359 0.40554 7.82609
3 1MO9 KPC 0.04411 0.43424 10.0775
4 5A86 D7E 0.01202 0.40684 10.1911
5 1SR7 MOF 0.04254 0.4059 17.2269
Pocket No.: 4; Query (leader) PDB : 2WDQ; Ligand: TEO; Similar sites found: 12
This union binding pocket(no: 4) in the query (biounit: 2wdq.bio3) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QZR ANP 0.03135 0.40461 5.04202
2 3T7S SAM 0.02491 0.40062 7.75194
3 3LF0 ATP 0.0106 0.42482 7.89474
4 2TPS TPS 0.01891 0.4162 9.56522
5 4CZG QH3 0.02379 0.4216 10.4348
6 4CZG ADP 0.02276 0.4216 10.4348
7 4EFH ADP 0.01813 0.40586 11.3043
8 1R37 NAD 0.04705 0.40437 14.7287
9 3SJH ATP 0.02369 0.40511 15.5039
10 3SJH LAR 0.041 0.40216 15.5039
11 2V52 ATP 0.02775 0.40154 15.5039
12 3MN5 ATP 0.0262 0.40284 23.2558
Pocket No.: 5; Query (leader) PDB : 2WDQ; Ligand: TEO; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 2wdq.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YN4 39J 0.01522 0.40171 4.66102
2 1ON3 MCA 0.03778 0.4003 9.30233
3 4YGM URA 0.01762 0.40074 13.1783
Pocket No.: 6; Query (leader) PDB : 2WDQ; Ligand: CBE; Similar sites found: 9
This union binding pocket(no: 6) in the query (biounit: 2wdq.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3I54 CMP 0.02075 0.40318 6.20155
2 5O4J PJL 0.03979 0.40476 6.20438
3 4OMJ 2TX 0.04084 0.40477 7.19424
4 1I58 ADP 0.01675 0.4057 8.46561
5 1GQG DCD 0.02949 0.40176 9.30233
6 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.02303 0.4129 11.3043
7 4L77 CNL 0.01185 0.40637 12.1739
8 3RGA ILD 0.03374 0.40094 13.4454
9 3OJF NDP 0.02549 0.42156 18.2609
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