Receptor
PDB id Resolution Class Description Source Keywords
3FU7 1.67 Å EC: 1.10.3.2 MELANOCARPUS ALBOMYCES LACCASE CRYSTAL SOAKED (4 SEC) WITH 2 DIMETHOXYPHENOL MELANOCARPUS ALBOMYCES LACCASE MULTICOPPER OXIDASE COMPLEX STRUCTURE 26-DIMETHOOXIDATION OF PHENOLIC COMPOUNDS GLYCOPROTEIN LIGNIN DEGRAMETAL-BINDING OXIDOREDUCTASE
Ref.: STRUCTURE FUNCTION STUDIES OF A MELANOCARPUS ALBOMY LACCASE SUGGEST A PATHWAY FOR OXIDATION OF PHENOLIC COMPOUNDS. J.MOL.BIOL. V. 392 895 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3DM A:3900;
Valid;
none;
submit data
154.163 C8 H10 O3 COc1c...
CL A:610;
B:610;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
CU A:601;
A:602;
A:603;
A:604;
B:601;
B:602;
B:603;
B:604;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
63.546 Cu [Cu+2...
D2M B:2100;
Valid;
none;
submit data
306.311 C16 H18 O6 COc1c...
KIA B:2910;
Valid;
none;
submit data
168.147 C8 H8 O4 COC1=...
NAG A:700;
A:750;
B:1750;
B:2760;
B:700;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:720;
A:740;
A:760;
B:720;
B:740;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG MAN A:730;
B:730;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
NAG NAG MAN MAN A:710;
B:710;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
OXY A:1620;
B:1620;
Invalid;
Invalid;
none;
none;
submit data
31.999 O2 O=O
SO4 A:3800;
A:3801;
B:4802;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FU7 1.67 Å EC: 1.10.3.2 MELANOCARPUS ALBOMYCES LACCASE CRYSTAL SOAKED (4 SEC) WITH 2 DIMETHOXYPHENOL MELANOCARPUS ALBOMYCES LACCASE MULTICOPPER OXIDASE COMPLEX STRUCTURE 26-DIMETHOOXIDATION OF PHENOLIC COMPOUNDS GLYCOPROTEIN LIGNIN DEGRAMETAL-BINDING OXIDOREDUCTASE
Ref.: STRUCTURE FUNCTION STUDIES OF A MELANOCARPUS ALBOMY LACCASE SUGGEST A PATHWAY FOR OXIDATION OF PHENOLIC COMPOUNDS. J.MOL.BIOL. V. 392 895 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3FU7 - D2M C16 H18 O6 COc1cccc(c....
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 3FU7 - D2M C16 H18 O6 COc1cccc(c....
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 3FU7 - D2M C16 H18 O6 COc1cccc(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3DM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 3DM 1 1
2 D2M 0.435897 0.88
3 JZ3 0.433333 0.818182
4 KIB 0.4 0.916667
Ligand no: 2; Ligand: D2M; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 D2M 1 1
2 3DM 0.435897 0.88
Ligand no: 3; Ligand: KIA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KIA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FU7; Ligand: D2M; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 3fu7.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IHG VAK 0.003129 0.44913 6.16822
2 5IXH OTP 0.04534 0.40233 6.21118
3 4MNS 2AX 0.02937 0.42446 7.54717
4 4GJ3 0XP 0.03738 0.40507 7.61589
5 2HZQ STR 0.0044 0.40143 8.62069
Pocket No.: 2; Query (leader) PDB : 3FU7; Ligand: 3DM; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 3fu7.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4E90 7RG 0.009976 0.42406 1.82371
2 1VYP TNF 0.02363 0.4006 3.2967
3 1VYP FMN 0.0249 0.4006 3.2967
4 3KN5 ANP 0.008519 0.40313 4
5 4NNB OAA 0.02711 0.41199 4.24354
6 3LN0 52B 0.02971 0.41051 4.47227
7 3L4U DSK 0.0394 0.40762 4.65116
8 5JAX 6J7 0.008692 0.4087 5.18518
9 4I42 1HA 0.02909 0.41646 5.26316
10 2B4D COA 0.0206 0.40994 5.26316
11 3GGU 017 0.01555 0.4213 7.07071
12 1TW4 CHD 0.01951 0.40454 12
13 4Q5M ROC 0.03833 0.40598 14.7783
14 5ITV NAI 0.03722 0.40573 16.8627
15 5DX1 SFG 0.02532 0.40801 26.3158
16 3QV1 NAD 0.01885 0.42244 36.5854
Pocket No.: 3; Query (leader) PDB : 3FU7; Ligand: KIA; Similar sites found: 5
This union binding pocket(no: 3) in the query (biounit: 3fu7.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HZ9 5M8 0.03005 0.40061 2.96296
2 3RFA SAM 0.01278 0.42072 3.21782
3 4JAW NGT GAL 0.01907 0.41596 5.54562
4 3PJU C2E 0.008439 0.44215 10.8434
5 1PZ4 PLM 0.008119 0.41452 18.9655
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