Receptor
PDB id Resolution Class Description Source Keywords
3W6G 2.25 Å EC: 1.11.1.15 STRUCTURE OF PEROXIREDOXIN FROM ANAEROBIC HYPERTHERMOPHILIC PYROCOCCUS HORIKOSHII PYROCOCCUS HORIKOSHII REDUCTION HYDROGEN PEROXIDE WATER OXIDOREDUCTASE
Ref.: STRUCTURE OF PEROXIREDOXIN FROM THE ANAEROBIC HYPERTHERMOPHILIC ARCHAEON PYROCOCCUS HORIKOSHII ACTA CRYSTALLOGR.,SECT.F V. 69 719 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC Q:301;
A:301;
P:301;
H:301;
N:301;
M:301;
C:301;
R:301;
G:301;
F:301;
T:301;
B:301;
I:301;
O:301;
K:301;
D:301;
S:301;
J:301;
L:301;
E:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W6G 2.25 Å EC: 1.11.1.15 STRUCTURE OF PEROXIREDOXIN FROM ANAEROBIC HYPERTHERMOPHILIC PYROCOCCUS HORIKOSHII PYROCOCCUS HORIKOSHII REDUCTION HYDROGEN PEROXIDE WATER OXIDOREDUCTASE
Ref.: STRUCTURE OF PEROXIREDOXIN FROM THE ANAEROBIC HYPERTHERMOPHILIC ARCHAEON PYROCOCCUS HORIKOSHII ACTA CRYSTALLOGR.,SECT.F V. 69 719 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3W6G - FLC C6 H5 O7 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 3W6G - FLC C6 H5 O7 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 4 families.
1 3W6G - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: 35
This union binding pocket(no: 1) in the query (biounit: 3w6g.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OAA OAA 0.04008 0.41636 1.38889
2 2AG5 NAD 0.03245 0.40881 1.85185
3 4IIL RBF 0.01514 0.4117 2.31481
4 1NE7 AGP 0.01445 0.40684 2.31481
5 3WGT FAD 0.04721 0.41543 2.77778
6 3WGT QSC 0.04861 0.41543 2.77778
7 1AZT GSP 0.03333 0.40578 3.24074
8 3IP8 B85 0.005212 0.40075 3.7037
9 1SVK ALF GDP 0.01414 0.42689 4.16667
10 4YBN FAD 0.02123 0.41749 4.16667
11 1BH2 GSP 0.02241 0.41498 4.16667
12 3FV1 DYH 0.0253 0.40954 4.16667
13 2PA4 UPG 0.04302 0.4022 4.16667
14 2ODE ALF GDP 0.01953 0.41815 4.25532
15 5HRA DAS 0.001482 0.45378 4.62963
16 1LCF OXL 0.007121 0.40845 5.09259
17 3W9F I3P 0.009263 0.406 5.09259
18 2DX7 CIT 0.006286 0.42495 5.55556
19 1RYO OXL 0.006938 0.41958 5.55556
20 4PLG NAI 0.03811 0.41234 5.55556
21 5CMK GLU 0.01628 0.41671 6.48148
22 1YQC GLV 0.003939 0.41928 7.05882
23 5K5Z ANP 0.03157 0.40165 7.40741
24 1PKX XMP 0.02706 0.40366 7.87037
25 2Q2V NAD 0.04898 0.40239 7.87037
26 1DFO FFO 0.02097 0.40072 7.87037
27 3CV2 OXL 0.01096 0.41624 9.72222
28 5BO9 CSF 0.02406 0.40784 9.72222
29 3CX8 GSP 0.01665 0.42183 11.5741
30 1ZCB GDP 0.01437 0.42104 11.5741
31 1J0D 5PA 0.03489 0.40345 12.5
32 3R96 AMP 0.03894 0.41182 12.766
33 3R96 ACO 0.03894 0.41182 12.766
34 4KOT CE3 0.02711 0.42048 16.6667
35 4K7O EKZ 0.00002898 0.54285 39.2857
Pocket No.: 2; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3w6g.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3w6g.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: 20
This union binding pocket(no: 11) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DSU GDP 0.0385 0.40084 1.0582
2 4B5W PYR 0.02315 0.42322 2.77778
3 5FTW SAH 0.02035 0.41063 3.24074
4 3L9W FMN 0.01888 0.40578 3.24074
5 1GWN GTP 0.02929 0.40126 3.41463
6 1NFQ NAI 0.03616 0.41063 3.7037
7 5CAE SIN 0.0382 0.40866 4.16667
8 2YK7 CSF 0.01559 0.41367 4.62963
9 5GT9 NAP 0.04285 0.40481 6.94444
10 3EFS BTN 0.02194 0.40358 6.94444
11 1NF3 GNP 0.03811 0.40004 7.8125
12 3ZOA ACR 0.01299 0.40463 7.87037
13 4YC7 GNP 0.02487 0.40658 8.28729
14 4V3C C 0.02119 0.40245 8.7963
15 1GOT GDP 0.0279 0.4042 9.58904
16 1KGZ PRP 0.01698 0.4041 10.6481
17 2DTX BMA 0.04398 0.41192 12.037
18 1CXZ GSP 0.03147 0.40127 12.6374
19 4XOI GTP 0.03016 0.40495 12.7778
20 1SOW NAD 0.03093 0.41349 25
Pocket No.: 12; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3w6g.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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