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...
CGC A:806;
Valid;
none;
submit data
356.28 C12 H20 O12 C([C@...
CL A:811;
Invalid;
none;
submit data
35.453 Cl [Cl-]
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 - CGC C12 H20 O12 C([C@@H]1[....
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 - CGC C12 H20 O12 C([C@@H]1[....
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 - CGC C12 H20 O12 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CGC; Similar ligands found: 149
No: Ligand ECFP6 Tc MDL keys Tc
1 CGC 1 1
2 MAN GLC 0.62963 0.941176
3 LB2 0.62963 0.941176
4 NGR 0.62963 0.941176
5 M3M 0.62963 0.941176
6 BGC BGC BGC GLC BGC BGC 0.576271 0.941176
7 GLC BGC BGC BGC BGC BGC BGC 0.576271 0.941176
8 BQZ 0.54717 0.909091
9 BMA MAN MAN MAN 0.53125 0.941176
10 GAL GAL SO4 0.530303 0.627451
11 MAN BMA MAN 0.523077 0.941176
12 BMA GAL 0.491525 0.941176
13 GLC GAL 0.491525 0.941176
14 B2G 0.491525 0.941176
15 GLA GLA 0.491525 0.941176
16 GAL BGC 0.491525 0.941176
17 LBT 0.491525 0.941176
18 CBK 0.491525 0.941176
19 BGC GAL 0.491525 0.941176
20 CBI 0.491525 0.941176
21 MAL 0.491525 0.941176
22 N9S 0.491525 0.941176
23 GLA GAL 0.491525 0.941176
24 LAT 0.491525 0.941176
25 MAB 0.491525 0.941176
26 BGC BMA 0.491525 0.941176
27 TRE 0.490196 0.941176
28 GAL FUC 0.483871 0.941176
29 M5S 0.478873 0.941176
30 MAN BMA MAN MAN MAN 0.478873 0.941176
31 MDM 0.47541 0.888889
32 GAL MBG 0.47541 0.888889
33 M13 0.47541 0.888889
34 2M4 0.474576 0.941176
35 P3M 0.471429 0.727273
36 GLA GAL GAL 0.469697 0.941176
37 DOM 0.467742 0.888889
38 BGC BGC 0.467742 0.861111
39 BMA BMA 0.467742 0.861111
40 NAG BMA 0.463768 0.653061
41 FUC BGC GAL 0.463768 0.914286
42 A2G GAL 0.462687 0.733333
43 GAL NDG 0.462687 0.733333
44 NLC 0.462687 0.733333
45 GAL NGA 0.462687 0.733333
46 GAL A2G 0.462687 0.733333
47 NDG GAL 0.462687 0.733333
48 8VZ 0.462687 0.673469
49 CE8 0.460317 0.941176
50 BGC GLC GLC GLC GLC 0.460317 0.941176
51 CE6 0.460317 0.941176
52 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.460317 0.941176
53 GLA GAL BGC 0.460317 0.941176
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.460317 0.941176
55 BMA BMA BMA BMA BMA 0.460317 0.941176
56 MAN BMA BMA BMA BMA BMA 0.460317 0.941176
57 BGC BGC BGC BGC BGC BGC 0.460317 0.941176
58 MAN BMA BMA 0.460317 0.941176
59 GAL GAL GAL 0.460317 0.941176
60 BMA MAN BMA 0.460317 0.941176
61 MAN BMA BMA BMA BMA 0.460317 0.941176
62 GLC BGC BGC BGC BGC 0.460317 0.941176
63 MAN MAN BMA BMA BMA BMA 0.460317 0.941176
64 MLR 0.460317 0.941176
65 DXI 0.460317 0.941176
66 BGC GLC GLC 0.460317 0.941176
67 GLC BGC GLC 0.460317 0.941176
68 BGC BGC BGC BGC BGC 0.460317 0.941176
69 BGC BGC BGC BGC 0.460317 0.941176
70 MT7 0.460317 0.941176
71 CE5 0.460317 0.941176
72 BGC GLC GLC GLC 0.460317 0.941176
73 CEY 0.460317 0.941176
74 MTT 0.460317 0.941176
75 GLC GLC GLC GLC GLC 0.460317 0.941176
76 CEX 0.460317 0.941176
77 GLC GAL GAL 0.460317 0.941176
78 GLC BGC BGC BGC BGC BGC 0.460317 0.941176
79 BGC BGC BGC GLC 0.460317 0.941176
80 BGC BGC BGC 0.460317 0.941176
81 BGC BGC GLC 0.460317 0.941176
82 GLC GLC BGC 0.460317 0.941176
83 CTT 0.460317 0.941176
84 GLC BGC BGC BGC 0.460317 0.941176
85 BMA BMA BMA BMA BMA BMA 0.460317 0.941176
86 BGC GLC GLC GLC GLC GLC GLC 0.460317 0.941176
87 GLC BGC BGC 0.460317 0.941176
88 B4G 0.460317 0.941176
89 GLA GAL GLC 0.460317 0.941176
90 CT3 0.460317 0.941176
91 CTR 0.460317 0.941176
92 BMA BMA BMA 0.460317 0.941176
93 GLA NAG GAL FUC 0.45679 0.717391
94 GAL NAG GAL FUC 0.45679 0.717391
95 NAG GAL GAL NAG GAL 0.455696 0.6875
96 GLA MBG 0.45 0.888889
97 LAT GLA 0.45 0.941176
98 9MR 0.446154 0.704545
99 MAN BMA NAG 0.445946 0.733333
100 GLA GAL NAG 0.445946 0.733333
101 BGC BGC BGC BGC BGC BGC BGC BGC 0.442857 0.941176
102 GAL MGC 0.441176 0.702128
103 BMA MAN MAN MAN MAN 0.44 0.941176
104 NOY BGC 0.439394 0.666667
105 U63 0.4375 0.842105
106 MVP 0.432836 0.695652
107 GLA EGA 0.430769 0.888889
108 5QP 0.430769 0.833333
109 BMA FRU 0.430769 0.794872
110 FRU GAL 0.430769 0.794872
111 GAL NAG 0.428571 0.733333
112 RZM 0.428571 0.652174
113 GLA GAL FUC 0.428571 0.914286
114 DR5 0.428571 0.888889
115 NAG GAL 0.428571 0.733333
116 GLA GLA FUC 0.428571 0.914286
117 FUC GAL GLA 0.428571 0.914286
118 MMA MAN 0.428571 0.888889
119 T6P 0.428571 0.727273
120 FUC GLA GLA 0.428571 0.914286
121 GAL GAL FUC 0.428571 0.914286
122 MAN G63 0.426471 0.62
123 2M8 0.42623 0.911765
124 MAN MAN MAN MAN 0.424658 0.941176
125 MAN MAN BMA MAN 0.424658 0.941176
126 BMA BMA MAN 0.424242 0.941176
127 BGC OXZ 0.424242 0.632653
128 IFM BGC 0.424242 0.673913
129 BMA IFM 0.424242 0.673913
130 IFM BMA 0.424242 0.673913
131 MAN MAN BMA 0.424242 0.941176
132 MAN 7D1 0.421875 0.837838
133 GLC DMJ 0.41791 0.659574
134 NOJ GLC 0.41791 0.659574
135 FMO 0.41791 0.820513
136 MAN MNM 0.41791 0.666667
137 MAN MAN MAN GLC 0.416667 0.941176
138 GAL NDG FUC 0.415584 0.717391
139 FUC NDG GAL 0.415584 0.717391
140 MAN MAN MAN MAN MAN MAN MAN 0.414634 0.941176
141 ABL 0.411765 0.702128
142 BGC GAL NAG GAL 0.407407 0.733333
143 GAL NAG GAL GLC 0.407407 0.733333
144 GDQ GLC 0.405797 0.632653
145 FUC NAG GAL 0.405063 0.66
146 MAL EDO 0.402985 0.888889
147 MAN MMA MAN 0.402778 0.888889
148 WZ3 0.402597 0.864865
149 4RS 0.4 0.825
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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