Receptor
PDB id Resolution Class Description Source Keywords
3ZO7 2.22 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE RHODOCOCCUS OPACUS LYASE FERREDOXIN FOLD CHLOROCATECHOL PATHWAY DEHALOGENASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF CHLOROMUCONOLACTONE DEHALOGENASE CLCF FROM RHODOCOC OPACUS 1CP. MOL.MICROBIOL. V. 88 254 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K6H H:1093;
J:1093;
A:1093;
G:1095;
E:1092;
I:1094;
D:1092;
F:1093;
B:1095;
C:1097;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
176.554 C6 H5 Cl O4 C1=CC...
CL A:1095;
C:1095;
F:1092;
G:1096;
E:1093;
C:1096;
H:1094;
J:1094;
B:1097;
D:1093;
B:1096;
A:1094;
B:1098;
I:1093;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZO7 2.22 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE RHODOCOCCUS OPACUS LYASE FERREDOXIN FOLD CHLOROCATECHOL PATHWAY DEHALOGENASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF CHLOROMUCONOLACTONE DEHALOGENASE CLCF FROM RHODOCOC OPACUS 1CP. MOL.MICROBIOL. V. 88 254 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3ZO7 - K6H C6 H5 Cl O4 C1=CC(=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 217 families.
1 3ZO7 - K6H C6 H5 Cl O4 C1=CC(=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 181 families.
1 3ZO7 - K6H C6 H5 Cl O4 C1=CC(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: K6H; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 K6H 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZO7; Ligand: K6H; Similar sites found: 70
This union binding pocket(no: 1) in the query (biounit: 3zo7.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4K55 H6P 0.0009487 0.45705 None
2 5T7I LAT NAG GAL 0.002244 0.44323 None
3 2D6M LBT 0.001421 0.43879 None
4 4XIZ LPP 0.008759 0.43696 None
5 1A78 TDG 0.00305 0.43507 None
6 1QKQ MAN 0.002155 0.43493 None
7 3FW4 CAQ 0.008013 0.4295 None
8 4XMF HSM 0.001647 0.42084 None
9 2VQ5 HBA 0.00646 0.41998 None
10 5IXH OTP 0.02797 0.41934 None
11 2HZQ STR 0.00709 0.41705 None
12 5H9P TD2 0.003843 0.41689 None
13 5XDT ZI7 0.02436 0.4076 None
14 5G3N X28 0.01849 0.40638 None
15 3MTX PGT 0.03874 0.40614 None
16 4XCB AKG 0.007023 0.40523 None
17 5HWC FK5 0.009038 0.40514 None
18 1Y7P RIP 0.01041 0.40486 None
19 1SLT NDG GAL 0.009189 0.4039 None
20 1O68 KIV 0.01329 0.40165 None
21 4WG0 CHD 0.01712 0.40066 None
22 2ZHL NAG GAL GAL NAG 0.005251 0.40003 None
23 2YMZ LAT 0.0009473 0.43522 2.12766
24 1QY1 PRZ 0.001479 0.46136 3.19149
25 3WG3 A2G GAL NAG FUC 0.001052 0.45996 3.19149
26 3KFF XBT 0.002895 0.43407 3.19149
27 3KFF ZBT 0.002895 0.43407 3.19149
28 3M3E GAL A2G NPO 0.0007525 0.40356 3.19149
29 3SAO DBH 0.006988 0.42052 4.25532
30 4USI ATP 0.01944 0.40528 4.25532
31 3BRN SRO 0.006165 0.41971 5.31915
32 5LGA 6VH 0.03229 0.40934 5.31915
33 4IMO PWZ 0.01163 0.40764 5.31915
34 3HCH RSM 0.008798 0.40581 5.31915
35 5H9Y BGC BGC BGC BGC 0.01262 0.40527 5.31915
36 2B3B GLC 0.01021 0.40261 5.31915
37 4Q0L V14 0.03141 0.40056 5.31915
38 5H2D ERG 0.00733 0.42827 6.38298
39 3G5N PB2 0.0485 0.42578 6.38298
40 5VC5 96M 0.01692 0.41577 6.38298
41 5TO8 7FM 0.04554 0.40428 6.38298
42 3ZXE PGZ 0.001224 0.41792 7.44681
43 5HV0 AKG 0.01009 0.41001 7.44681
44 2AXR ABL 0.0107 0.40812 7.44681
45 3WUC GLC GAL 0.02512 0.40123 7.44681
46 5KY3 GFB 0.02785 0.40044 7.44681
47 1AUA BOG 0.00266 0.43587 8.51064
48 5TV6 PML 0.004662 0.41884 8.51064
49 1WB4 SXX 0.009109 0.41332 8.51064
50 2VDF OCT 0.003789 0.40062 8.51064
51 5U98 1KX 0.04241 0.40778 9.57447
52 5T8U LPA 0.01295 0.4025 9.57447
53 5GLT BGC GAL NAG GAL 0.0008553 0.40134 9.57447
54 2J9D ADP 0.01452 0.41329 10.6383
55 4A3X LAT 0.004654 0.40875 10.6383
56 2J9D AMP 0.01313 0.40849 10.6383
57 3AI3 SOE 0.01319 0.40181 10.6383
58 4L77 CNL 0.01076 0.40152 10.6383
59 5IXJ THR 0.03784 0.40132 10.6383
60 1IS3 LAT 0.0008301 0.41196 11.7021
61 5EYP LOC 0.02481 0.4015 11.7021
62 3IT7 TLA 0.01188 0.40344 12.766
63 3VV1 GAL FUC 0.001542 0.44591 14.8936
64 5AXH GLC GLC GLC GLC 0.01051 0.42037 14.8936
65 3A16 PXO 0.008395 0.40364 14.8936
66 2GJ5 VD3 0.03243 0.41126 15.9574
67 3ZJX BOG 0.01186 0.40888 17.0213
68 5DQ8 FLF 0.01415 0.42367 20.2128
69 1C1L GAL BGC 0.0004282 0.48263 25.5319
70 1ULE GLA GAL NAG 0.001679 0.45124 31.9149
Pocket No.: 2; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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