Receptor
PDB id Resolution Class Description Source Keywords
1D6Z 2.1 Å EC: 1.4.3.6 CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DET CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE O ESCHERICHIA COLI REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: VISUALIZATION OF DIOXYGEN BOUND TO COPPER DURING EN CATALYSIS. SCIENCE V. 286 1724 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:802;
A:803;
B:802;
B:803;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CU A:801;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+2...
GOL A:2004;
B:3003;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HY1 A:2001;
B:3001;
Valid;
Valid;
none;
none;
submit data
120.149 C8 H8 O c1ccc...
PEA A:2003;
Valid;
none;
submit data
122.188 C8 H12 N c1ccc...
PEO A:2002;
B:3002;
Invalid;
Invalid;
none;
none;
submit data
34.015 H2 O2 OO
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D6Z 2.1 Å EC: 1.4.3.6 CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DET CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE O ESCHERICHIA COLI REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: VISUALIZATION OF DIOXYGEN BOUND TO COPPER DURING EN CATALYSIS. SCIENCE V. 286 1724 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1D6Y - HY1 C8 H8 O c1ccc(cc1)....
2 1D6U - HY1 C8 H8 O c1ccc(cc1)....
3 1D6Z - HY1 C8 H8 O c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1D6Y - HY1 C8 H8 O c1ccc(cc1)....
2 1D6U - HY1 C8 H8 O c1ccc(cc1)....
3 1D6Z - HY1 C8 H8 O c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1D6Y - HY1 C8 H8 O c1ccc(cc1)....
2 1D6U - HY1 C8 H8 O c1ccc(cc1)....
3 1D6Z - HY1 C8 H8 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HY1; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HY1 1 1
2 3PL 0.46875 0.777778
Ligand no: 2; Ligand: PEA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PEA 1 1
2 PRA 0.62963 0.882353
3 ABN 0.461538 0.733333
4 PBN 0.4375 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D6Z; Ligand: HY1; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 1d6z.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MKY GDP 0.01455 0.40694 1.82232
2 1TLL FMN 0.01975 0.41424 2.03488
3 3M6P BB2 0.01593 0.40296 2.07254
4 2AQJ TRP 0.04301 0.42059 3.15985
5 2V52 ATP 0.02811 0.40332 3.44828
6 4B1Y ATP 0.02725 0.40532 3.45745
7 1U3U BNF 0.04652 0.40666 3.47594
8 3MN5 ATP 0.03 0.40058 3.62117
9 1U3G THF 0.02622 0.40454 3.7037
10 3Q9T FAY 0.03956 0.40672 3.81282
11 1V7Z CRN 0.01017 0.41067 4.23077
12 2Z49 AMG 0.002222 0.40745 5.09259
13 5M3E APR 0.01345 0.42627 5.45455
14 1S8F GDP 0.007985 0.42671 6.21469
15 3QWI CUE 0.0305 0.41468 6.2963
16 2BW7 APC 0.04471 0.42127 6.39269
17 5EOO CIT 0.002351 0.4268 7.54717
18 3TA2 AKG 0.02728 0.40173 7.62712
19 1PUJ GNP 0.0157 0.40811 7.80142
20 4J5R A1R 0.01111 0.42294 8.21918
21 3F6R FMN 0.01833 0.40645 8.78378
22 1UAD GNP 0.01454 0.42727 9.09091
23 3KFC 61X 0.04345 0.40138 9.09091
24 1L1Q 9DA 0.01281 0.42 9.13978
25 1Z0A GDP 0.009588 0.41782 9.1954
26 4DM8 REA 0.02564 0.40972 9.3633
27 4K81 GTP 0.03132 0.40757 12.2807
28 1VLH PNS 0.01609 0.40984 13.2948
29 3H0A D30 0.03658 0.41116 13.6029
30 3Q85 GNP 0.006576 0.42764 13.6095
31 3HIG BRN 0.0004577 0.48441 27.0977
32 3SJH ATP 0.02259 0.40874 31.4815
Pocket No.: 2; Query (leader) PDB : 1D6Z; Ligand: HY1; 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: 1d6z.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1D6Z; Ligand: PEA; 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: 1d6z.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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