Receptor
PDB id Resolution Class Description Source Keywords
4ZLI 1.8 Å EC: 2.4.1.321 CELLOBIONIC ACID PHOSPHORYLASE - 3-O-BETA-D-GLUCOPYRANOSYL-A GLUCOPYRANURONIC ACID COMPLEX SACCHAROPHAGUS DEGRADANS 2-40 (ALPHA/ALPHA)6 BARREL GLYCOSIDE HYDROLASE FAMILY 94 OXIDATCELLULOSE DEGRADATION SYSTEM INTRACELLULAR ENZYME TRANSFE
Ref.: CRYSTAL STRUCTURE AND SUBSTRATE RECOGNITION OF CELL ACID PHOSPHORYLASE, WHICH PLAYS A KEY ROLE IN OXIDA CELLULOSE DEGRADATION BY MICROBES. J.BIOL.CHEM. V. 290 18281 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:803;
A:805;
A:801;
A:804;
A:802;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:808;
A:810;
A:809;
A:807;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CL A:811;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GCU BGC B:1;
Valid;
none;
submit data
355.272 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZLF 1.6 Å EC: 2.4.1.321 CELLOBIONIC ACID PHOSPHORYLASE - CELLOBIONIC ACID COMPLEX SACCHAROPHAGUS DEGRADANS 2-40 (ALPHA/ALPHA)6 BARREL GLYCOSIDE HYDROLASE FAMILY 94 OXIDATCELLULOSE DEGRADATION SYSTEM INTRACELLULAR ENZYME TRANSFE
Ref.: CRYSTAL STRUCTURE AND SUBSTRATE RECOGNITION OF CELL ACID PHOSPHORYLASE, WHICH PLAYS A KEY ROLE IN OXIDA CELLULOSE DEGRADATION BY MICROBES. J.BIOL.CHEM. V. 290 18281 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZLF - CEZ C12 H22 O12 C([C@@H]1[....
2 4ZLG - LGC C6 H10 O6 C([C@@H]1[....
3 4ZLI - GCU BGC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZLF - CEZ C12 H22 O12 C([C@@H]1[....
2 4ZLG - LGC C6 H10 O6 C([C@@H]1[....
3 4ZLI - GCU BGC n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ZLF - CEZ C12 H22 O12 C([C@@H]1[....
2 4ZLG - LGC C6 H10 O6 C([C@@H]1[....
3 4ZLI - GCU BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GCU BGC; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 GCU BGC 1 1
2 GAL GLA 0.6 0.914286
3 GLC BGC BGC BGC 0.55 0.914286
4 BGC BGC BGC BGC BGC 0.55 0.914286
5 BGC BGC BGC 0.55 0.914286
6 BGC BGC BGC BGC BGC BGC BGC 0.55 0.914286
7 BGC BGC BGC BGC BGC BGC 0.55 0.914286
8 BQZ 0.54717 0.882353
9 GAL SO4 GAL 0.530303 0.647059
10 BMA MAN MAN 0.5 0.914286
11 MBG GAL 0.47541 0.864865
12 BGC GAL GLA 0.469697 0.914286
13 RR7 GLC 0.467742 0.864865
14 GAL NAG GAL 0.466667 0.717391
15 NAG BMA 0.463768 0.64
16 BGC FUC GAL 0.463768 0.888889
17 GLC BGC FUC GAL 0.463768 0.888889
18 A2G GAL 0.462687 0.717391
19 NAG GAL 0.462687 0.717391
20 TVD GAL 0.462687 0.66
21 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.460317 0.914286
22 FUC GAL 0.460317 0.914286
23 GLC GLC GLC GLC BGC GLC GLC 0.460317 0.914286
24 MAN BMA BMA BMA BMA BMA BMA 0.460317 0.914286
25 MAN MAN MAN 0.453333 0.942857
26 MAN IPD MAN 0.453125 0.767442
27 MAN MAN M6P 0.452055 0.767442
28 MBG GLA 0.45 0.864865
29 BGC GLA GAL 0.45 0.914286
30 GPM GLC 0.447761 0.75
31 IPD MAN 0.446154 0.761905
32 BGC BGC BGC BGC 0.445946 0.914286
33 NAG GAL GAL 0.445946 0.717391
34 7D1 MAN 0.444444 0.815789
35 BGC BGC BGC BGC BGC BGC BGC BGC 0.442857 0.914286
36 MGC GAL 0.441176 0.6875
37 GAL NAG FUC GAL 0.439024 0.702128
38 GAL NAG GAL NAG GAL 0.4375 0.673469
39 BGC XGP 0.432836 0.767442
40 5QP 0.430769 0.810811
41 GLC U8V 0.430769 0.891892
42 GAL FUC GAL 0.428571 0.888889
43 RZM 0.428571 0.638298
44 MGL GAL 0.428571 0.864865
45 9MR 0.424242 0.688889
46 IFM BGC 0.424242 0.695652
47 BGC OXZ 0.424242 0.62
48 BMA MAN NAG 0.423077 0.717391
49 GLC G6P 0.421875 0.767442
50 AHR FUB 0.421053 0.783784
51 G2F SHG BGC BGC 0.42029 0.820513
52 NOK GAL 0.418919 0.6
53 NOJ GLC 0.41791 0.680851
54 NOY BGC 0.41791 0.6875
55 GLC DMJ 0.41791 0.680851
56 MAN MNM 0.41791 0.6875
57 MAN MAN MAN GLC 0.416667 0.914286
58 NAG FUC GAL 0.415584 0.702128
59 MAN MAN 0.412698 0.861111
60 CJX 0.411765 0.666667
61 ABL 0.411765 0.6875
62 K5B GMH GMH GLC 0.409639 0.829268
63 DGO MAN 0.409091 0.837838
64 FRU BMA 0.409091 0.775
65 ADA ADA 0.409091 0.75
66 BGC GAL NAG GAL 0.407407 0.717391
67 GDQ GLC 0.405797 0.653061
68 MAN G63 0.405797 0.64
69 NAG BDP 0.405405 0.723404
70 A2G SER GAL 0.405063 0.666667
71 2M8 0.403226 0.885714
72 GLC EDO GLC 0.402985 0.864865
73 MMA MAN MAN 0.402778 0.864865
74 BGC GAL NGA GAL 0.4 0.717391
75 GCO GAL 0.4 0.888889
76 A2G THR GAL 0.4 0.666667
77 MAN BMA BMA 0.4 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: GCU BGC; Similar ligands found: 23
No: Ligand Similarity coefficient
1 BGC BGC 0.9523
2 GLC BGC 0.9440
3 GLC GAL 0.9395
4 ISX 0.9297
5 PA1 GCS 0.9082
6 LAM 0.9074
7 GLC GLC 0.9050
8 GLO BGC 0.9030
9 SHG BGC 0.9024
10 GAL NGT 0.8946
11 MMA XYP 0.8880
12 BMA BGC 0.8803
13 FL8 0.8797
14 BMA BMA 0.8706
15 FRU GAL 0.8686
16 XDL XYP 0.8657
17 I0D 0.8654
18 MAN MVL 0.8633
19 XYP XYP 0.8630
20 BNY 0.8589
21 NAB 0.8577
22 XYS XYP 0.8546
23 MAN BMA 0.8543
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZLF; Ligand: CEZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4zlf.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZLF; Ligand: CEZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4zlf.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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