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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 with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 3fu7.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZ5 SLT 1.78891
2 1F0X FAD 2.50447
3 2GJ5 VD3 3.08642
4 4FFG 0U8 3.86179
5 1MFD GLA MMA ABE 4.18605
6 5EHZ 5NZ 4.41989
7 5E65 5N6 GAL 4.81928
8 1H74 ILE 5.06757
9 1LNM DTX 5.43478
10 3IHG VAK 6.16822
11 5IXH OTP 6.21118
12 4MNS 2AX 7.54717
13 4GJ3 0XP 7.61589
14 2HZQ STR 8.62069
15 5C5T AKG 9.21053
16 1NLM UD1 12.6374
Pocket No.: 2; Query (leader) PDB : 3FU7; Ligand: 3DM; Similar sites found with APoc: 33
This union binding pocket(no: 2) in the query (biounit: 3fu7.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4J6C STR 1.46341
2 4E90 7RG 1.82371
3 5T67 SAH 1.92308
4 5T67 JHZ 1.92308
5 2C5A GDC 2.63852
6 2C5A NAD 2.63852
7 5TPR NAD 2.92793
8 1DZK PRZ 3.18471
9 2Z3U CRR 3.22004
10 1VYP FMN 3.2967
11 1VYP TNF 3.2967
12 5Z99 SLB 3.29897
13 4CCK OGA 3.64026
14 3KN5 ANP 4
15 5NN6 MIG 4.11449
16 4NNB OAA 4.24354
17 3LN0 52B 4.47227
18 4KU7 PCG 4.57516
19 3L4U DSK 4.65116
20 5JAX 6J7 5.18518
21 4I42 1HA 5.26316
22 2B4D COA 5.26316
23 2PT9 2MH 5.60748
24 5VX9 FUC GAL NAG GAL BGC 6.21118
25 3CH6 311 6.64336
26 3CH6 NAP 6.64336
27 3GGU 017 7.07071
28 2PRG BRL 7.95455
29 2HZQ STR 8.62069
30 1TW4 CHD 12
31 4Q5M ROC 14.7783
32 5DX1 SFG 26.3158
33 3QV1 NAD 36.5854
Pocket No.: 3; Query (leader) PDB : 3FU7; Ligand: KIA; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 3fu7.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5G10 6DK 2.63852
2 5HZ9 5M8 2.96296
3 6ARJ BW4 3.15186
4 3RFA SAM 3.21782
5 4JAW NGT GAL 5.54562
6 5HCV 60R 7.7821
7 3PJU C2E 10.8434
8 1PZ4 PLM 18.9655
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