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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: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 60
This union binding pocket(no: 1) in the query (biounit: 3w6g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5XXS COA None
2 3FXU TSU 0.983607
3 1OAA OAA 1.38889
4 2AG5 NAD 1.85185
5 1NE7 AGP 2.31481
6 3WGT FAD 2.77778
7 3WGT QSC 2.77778
8 4B5W PYR 2.77778
9 4PLT NAI 2.77778
10 5U23 TQP 2.77778
11 3IP8 B85 3.7037
12 5O2J 2PO 3.7037
13 1SVK ALF GDP 4.16667
14 4YBN FAD 4.16667
15 1BH2 GSP 4.16667
16 3FV1 DYH 4.16667
17 4AVB ACO 4.16667
18 2PA4 UPG 4.16667
19 1CS4 GSP 4.24528
20 2ODE ALF GDP 4.25532
21 5HRA DAS 4.62963
22 5LV1 78T 5.09259
23 1LCF OXL 5.09259
24 3W9F I3P 5.09259
25 1FQK GDP 5.44218
26 5HH0 COA 5.5
27 4X1B MLI 5.55556
28 2DX7 CIT 5.55556
29 5YLF BGC 5.55556
30 1RYO OXL 5.55556
31 4PLG NAI 5.55556
32 4PLG OXM 5.55556
33 3SXN COA 5.55556
34 3TTM PUT 6.01852
35 1A99 PUT 6.01852
36 5CMK GLU 6.48148
37 6IIU A8X 6.94444
38 4LA7 A1O 6.94444
39 1YQC GLV 7.05882
40 2VWT PYR 7.40741
41 5K5Z ANP 7.40741
42 2Q2V NAD 7.87037
43 5UY8 AMZ 7.87037
44 1DFO FFO 7.87037
45 3CV2 OXL 9.72222
46 5BO9 CSF 9.72222
47 5JVB 2PO 11.1111
48 3RUU 37G 11.1111
49 3CX8 GSP 11.5741
50 1ZCB GDP 11.5741
51 6BCA GSP 12.4324
52 1J0D 5PA 12.5
53 3R96 AMP 12.766
54 3R96 ACO 12.766
55 4Z87 5GP 13.8889
56 4Z0G 5GP 13.8889
57 1HE1 GDP 15.9091
58 4KOT CE3 16.6667
59 3P48 DUP 21.0884
60 4K7O EKZ 39.2857
Pocket No.: 2; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 75
This union binding pocket(no: 2) in the query (biounit: 3w6g.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4KVX ACO None
2 3JQM GTP None
3 4LHW GNP 1.72414
4 4O1M NAD 1.85185
5 1NNU NAD 2.31481
6 1NNU TCT 2.31481
7 4UTG ANP 2.31481
8 2ZE9 PD7 2.31481
9 3KRB NAP 2.77778
10 5B4T 3HR 2.77778
11 5B4T NAD 2.77778
12 5BQS 4VN 2.77778
13 2XTZ GSP 2.77778
14 4R57 ACO 2.84091
15 4NTO 1PW 2.89855
16 2B3D FAD 2.94118
17 1UM0 FMN 3.24074
18 1GWN GTP 3.41463
19 1NFQ NAI 3.7037
20 5W8Q BU4 3.7037
21 1P72 ADP 3.7037
22 3AWJ COA 3.7037
23 5VL2 9EG 3.78788
24 4IF4 BEF 3.84615
25 5CAE SIN 4.16667
26 2POC BG6 4.16667
27 5N6C NAD 4.16667
28 1GP2 GDP 4.16667
29 4AF0 IMP 4.62963
30 1TAD ALF 4.62963
31 1TAD GDP 4.62963
32 1IY8 NAD 4.62963
33 5TVJ 7LF 5.09259
34 1D6H COA 5.09259
35 2PID YSA 5.09259
36 3TNF GNP 5.09259
37 3WR7 COA 5.29412
38 1ZUI SKM 5.35714
39 4DEC 3PG 5.55556
40 4DEC UDP 5.55556
41 2PHN GDP 6.01852
42 1GPE FAD 6.48148
43 3SJU NDP 6.48148
44 4YJ1 ADP 6.48148
45 3TKL GTP 6.63265
46 1M5B BN1 6.94444
47 5GT9 NAP 6.94444
48 1NF3 GNP 7.8125
49 3ZOA ACR 7.87037
50 1YKJ FAD 7.87037
51 1Z06 GNP 7.93651
52 4YC7 GNP 8.28729
53 4V3C C 8.7963
54 5YSS NAD 8.7963
55 5KDO GDP 9.45946
56 1GOT GDP 9.58904
57 2JDR L20 9.72222
58 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 9.72222
59 3KTA AP5 9.89011
60 1KGZ PRP 10.6481
61 2DTX BMA 12.037
62 6BCB GSP 12.4324
63 5HPY GDP 12.4324
64 5UPK GNP 12.5
65 1KMQ GNP 12.5
66 1CXZ GSP 12.6374
67 4XOI GTP 12.7778
68 4D9C PMP 12.963
69 6BC0 GSP 13.3333
70 1FQJ GDP 14.2857
71 3R5Y F42 15.6463
72 4JKV 1KS 18.9815
73 3SBD GNP 19.2513
74 2W2X GSP 19.4595
75 2FJU GSP 20.2247
Pocket No.: 3; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4PLT OXM 2.77778
2 2OYS FMN 2.77778
3 4B7X NAP 2.77778
4 6AU6 GDP 3.24074
5 5YJF SAH 3.24074
6 5YJF 8WO 3.24074
7 3L9W FMN 3.24074
8 1PZG A3D 3.62538
9 3CRZ NAP 3.7037
10 5YJI SAH 3.7037
11 5YJI 8WO 3.7037
12 4PHR UDP 3.7037
13 2CNT COA 4.375
14 4IAE 1DX 4.7619
15 1W85 TDP 6.01852
16 4RF2 NAP 6.01852
17 1RHC F42 ACN 6.48148
18 5O3Q CMP 6.66667
19 4WVO 3UZ 6.94444
20 1RE8 BD2 7.40741
21 4OOP DUP 7.83133
22 5GUD NDP 8.33333
23 3K5I AIR 8.33333
24 5NUF NAD 8.33333
25 2G77 GDP 9.59596
26 1AE1 NAP 12.037
27 5AHM IMP 18.9815
28 1SOW NAD 25
Pocket No.: 4; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 24
This union binding pocket(no: 4) in the query (biounit: 3w6g.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2AIB ERG None
2 5WGR PM7 2.31481
3 1WUR 8DG 3.24074
4 1XON PIL 4.16667
5 1GUZ NAD 4.62963
6 2Y6P CTP 5.55556
7 3QP8 HL0 5.97826
8 1ELU CSS 6.01852
9 3QP4 HL0 6.04396
10 2HOX P1T 6.48148
11 5L9O GOP 6.48148
12 3U40 ADN 6.94444
13 5EIN NAP 7.40741
14 1N62 FAD 7.83133
15 4Y8D 49J 7.87037
16 2A92 NAI 8.33333
17 4DV8 0LX 8.7963
18 1W0J ADP 9.72222
19 1FFU FAD 11.1111
20 5X8I SQZ 12.037
21 5UWS GNP 12.963
22 2B6N ALA PRO THR 13.6691
23 2V7Q ATP 18
24 3ZIA ADP 33.3333
Pocket No.: 5; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 12
This union binding pocket(no: 5) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5VCV 1N1 1.38889
2 2YK7 CSF 4.62963
3 2BVL UDP 4.62963
4 2BVL GLC 4.62963
5 4NJS G08 5.05051
6 5TVJ COA 5.09259
7 2VBQ BSJ 5.45455
8 4RGQ NDP 7.40741
9 2Z4T C5P 7.87037
10 5NUE NAD 8.33333
11 5BO9 SIA GAL NGS 9.72222
12 3P7G MAN 13.6986
Pocket No.: 6; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3LXN MI1 3.24074
2 4C2V YJA 5.55556
3 4WB7 ATP 7.40741
4 5BNS 4VM 12.5
5 3F4F UMP 18.5629
Pocket No.: 7; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 6
This union binding pocket(no: 7) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3RJ5 NAD 1.38889
2 6EJI UD2 1.85185
3 1PVN MZP 3.7037
4 1Y1P NMN AMP PO4 4.16667
5 3RFV NAI 4.16667
6 5VLC HSO 4.62963
Pocket No.: 8; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 5
This union binding pocket(no: 8) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5FTW SAH 3.24074
2 6BR7 BEF 3.7594
3 1F2U ATP 5.40541
4 4RGQ 13P 7.40741
5 1NBU PH2 9.2437
Pocket No.: 9; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 6
This union binding pocket(no: 9) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5W70 9YM 3.24074
2 3P7I P7I 4.36137
3 3BF1 PAU 5.55556
4 3BF1 ADP 5.55556
5 4X7R 3YW 11.1111
6 4X7R UDP 11.1111
Pocket No.: 10; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 4
This union binding pocket(no: 10) in the query (biounit: 3w6g.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z0K GTP 4.65116
2 4OTH DRN 6.01852
3 4WB6 ATP 7.40741
4 3Q2H QHF 9.25926
Pocket No.: 11; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 4
This union binding pocket(no: 11) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZD9 GDP 3.19149
2 4EWH T77 4.16667
3 6AM8 PLT 6.48148
4 3EFS BTN 6.94444
Pocket No.: 12; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 3
This union binding pocket(no: 12) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4EYG VNL 5.55556
2 1AFS NAP 6.48148
3 4QYS PLP SEP 9.25926
Pocket No.: 13; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 3
This union binding pocket(no: 13) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1M2O GNP 2.63158
2 2GMH FAD 2.77778
3 5GSN FAD 3.7037
Pocket No.: 14; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 37
This union binding pocket(no: 15) in the query (biounit: 3w6g.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1XG5 NAP None
2 3O26 NDP 1.38889
3 4WZ8 3W7 2.31481
4 3KA2 2NC 2.46305
5 4WZV E40 3.125
6 2BPM 529 3.7037
7 3A1C ACP 3.7037
8 5O4J 9KH 3.7037
9 5O4J SAH 3.7037
10 1MMQ RRS 4.11765
11 3GFB NAD 4.16667
12 5G1N PAL 4.62963
13 1M7B GTP 4.8913
14 5JCA FAD 5.09259
15 1QH9 LAC 5.09259
16 3DJL FAD 6.01852
17 2DFV NAD 6.48148
18 4RJK TPP 6.48148
19 1OZH HE3 6.94444
20 1GRN GDP 7.8534
21 5T2U NAP 7.87037
22 1QG6 NAD 8.33333
23 1QG6 TCL 8.33333
24 2YOO K2B 9.72222
25 4Y9J FAD 10.1852
26 6BM5 SAM 10.1852
27 2D3M COA 11.1111
28 4O0L NDP 11.1111
29 1B63 ANP 12.037
30 5DI9 GNP 12.963
31 4HAT GNP 12.963
32 2WKQ GTP 12.963
33 5UWP GNP 12.963
34 1ATL 0QI 13.8614
35 5ODQ 9SB 15.2778
36 4AT0 FAD 17.5926
37 5U98 1KX 20.202
Pocket No.: 16; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 3
This union binding pocket(no: 18) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1YNQ NDP 4.62963
2 3RYC GTP 10.6481
3 3BFX A3P 12.5
Pocket No.: 19; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 5
This union binding pocket(no: 19) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4IZC 1GZ 1.85185
2 3JRS A8S 2.88462
3 2WUF KEM 3.7037
4 4POJ 2VP 4.16667
5 5WO4 B7V 4.62963
Pocket No.: 20; Query (leader) PDB : 3W6G; Ligand: FLC; Similar sites found with APoc: 2
This union binding pocket(no: 20) in the query (biounit: 3w6g.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1LLF F23 3.7037
2 5EXE 5SR 6.94444
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