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: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 CGC 1 1
2 M3M 0.62963 0.941176
3 LB2 0.62963 0.941176
4 MAN GLC 0.62963 0.941176
5 GLC BGC BGC BGC 0.576271 0.941176
6 BGC BGC BGC BGC BGC 0.576271 0.941176
7 BGC BGC BGC GLC BGC BGC 0.576271 0.941176
8 BGC BGC BGC 0.576271 0.941176
9 GLC BGC BGC BGC BGC BGC BGC 0.576271 0.941176
10 BGC BGC BGC ASO BGC BGC ASO 0.576271 0.941176
11 BGC BGC GLC 0.548387 0.941176
12 BMA MAN MAN 0.515625 0.941176
13 GAL GAL SO4 0.515152 0.666667
14 CBK 0.491525 0.941176
15 MAL MAL 0.491525 0.914286
16 BGC GLC 0.491525 0.941176
17 BMA GAL 0.491525 0.941176
18 GAL GLC 0.491525 0.941176
19 MAB 0.491525 0.941176
20 GAL BGC 0.491525 0.941176
21 CBI 0.491525 0.941176
22 GLA GLA 0.491525 0.941176
23 BMA BMA 0.491525 0.941176
24 GLA GAL 0.491525 0.941176
25 GLC GAL 0.491525 0.941176
26 BGC BMA 0.491525 0.941176
27 LBT 0.491525 0.941176
28 GLC BGC 0.491525 0.941176
29 N9S 0.491525 0.941176
30 LAT 0.491525 0.941176
31 MAL 0.491525 0.941176
32 B2G 0.491525 0.941176
33 BGC GAL 0.491525 0.941176
34 TRE 0.490196 0.941176
35 GLC GLC GLC GLC 0.485294 0.941176
36 GAL FUC 0.483871 0.941176
37 M5S 0.478873 0.941176
38 MAN BMA MAN MAN MAN 0.478873 0.941176
39 GAL MBG 0.47541 0.888889
40 M13 0.47541 0.888889
41 MDM 0.47541 0.888889
42 2M4 0.474576 0.941176
43 MAN MAN 0.474576 0.941176
44 BGC BGC 0.474576 0.941176
45 P3M 0.471429 0.727273
46 GLA GAL GAL 0.469697 0.941176
47 GLA GAL BGC 0.469697 0.941176
48 DOM 0.467742 0.888889
49 BMA MAN 0.467742 0.861111
50 NAG BMA 0.463768 0.653061
51 FUC BGC GAL 0.463768 0.914286
52 GAL NDG 0.462687 0.733333
53 GAL NGA 0.462687 0.733333
54 GAL A2G 0.462687 0.733333
55 8VZ 0.462687 0.673469
56 NDG GAL 0.462687 0.733333
57 A2G GAL 0.462687 0.733333
58 NLC 0.462687 0.733333
59 GLC GAL GAL 0.460317 0.941176
60 MAN MAN BMA BMA BMA BMA 0.460317 0.941176
61 GLC GLC GLC GLC GLC 0.460317 0.941176
62 MTT 0.460317 0.941176
63 BGC GLC GLC GLC GLC 0.460317 0.941176
64 BMA BMA BMA 0.460317 0.941176
65 BGC GLC GLC 0.460317 0.941176
66 BGC BGC BGC BGC BGC BGC 0.460317 0.941176
67 CTR 0.460317 0.941176
68 BMA BMA BMA BMA BMA BMA 0.460317 0.941176
69 CEY 0.460317 0.941176
70 CTT 0.460317 0.941176
71 GLC GLC GLC GLC GLC GLC GLC GLC 0.460317 0.941176
72 DXI 0.460317 0.941176
73 GLC BGC BGC BGC BGC BGC 0.460317 0.941176
74 MAN BMA BMA BMA BMA 0.460317 0.941176
75 GLC BGC BGC 0.460317 0.941176
76 MT7 0.460317 0.941176
77 GLC BGC BGC BGC BGC 0.460317 0.941176
78 MLR 0.460317 0.941176
79 BMA MAN BMA 0.460317 0.941176
80 GLC GLC GLC GLC GLC GLC GLC 0.460317 0.941176
81 CE5 0.460317 0.941176
82 BGC BGC BGC GLC 0.460317 0.941176
83 BGC GLC GLC GLC 0.460317 0.941176
84 MAN BMA BMA 0.460317 0.941176
85 BMA BMA MAN 0.460317 0.914286
86 GLC BGC GLC 0.460317 0.941176
87 GLC GLC BGC GLC GLC GLC GLC 0.460317 0.941176
88 CT3 0.460317 0.941176
89 CE8 0.460317 0.941176
90 GLC GLC BGC 0.460317 0.941176
91 CEX 0.460317 0.941176
92 BMA BMA BMA BMA BMA 0.460317 0.941176
93 B4G 0.460317 0.941176
94 GLA GAL GLC 0.460317 0.941176
95 BGC GLC GLC GLC GLC GLC GLC 0.460317 0.941176
96 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.460317 0.941176
97 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.460317 0.941176
98 GAL GAL GAL 0.460317 0.941176
99 CE6 0.460317 0.941176
100 GAL NAG GAL FUC 0.45679 0.717391
101 GLA NAG GAL FUC 0.45679 0.717391
102 NAG GAL GAL NAG GAL 0.455696 0.6875
103 LAT GLA 0.45 0.941176
104 GLA MBG 0.45 0.888889
105 9MR 0.446154 0.704545
106 NAG GAL GAL 0.445946 0.733333
107 MAN BMA NAG 0.445946 0.733333
108 GLA GAL NAG 0.445946 0.733333
109 BGC BGC BGC BGC BGC BGC BGC BGC 0.442857 0.941176
110 BGC BGC BGC BGC 0.442857 0.941176
111 GAL MGC 0.441176 0.702128
112 GLC DMJ 0.439394 0.688889
113 U63 0.4375 0.842105
114 MVP 0.432836 0.695652
115 MAN BMA BMA BMA BMA BMA 0.432836 0.914286
116 BMA BMA BMA BMA BMA BMA MAN 0.432836 0.914286
117 GLA EGA 0.430769 0.888889
118 FRU GAL 0.430769 0.794872
119 NOY BGC 0.430769 0.711111
120 BMA FRU 0.430769 0.794872
121 5QP 0.430769 0.833333
122 GLA GAL FUC 0.428571 0.914286
123 FUC GLA GLA 0.428571 0.914286
124 MMA MAN 0.428571 0.888889
125 GAL NAG 0.428571 0.733333
126 GAL GAL FUC 0.428571 0.914286
127 FUC GAL GLA 0.428571 0.914286
128 NGA GAL 0.428571 0.733333
129 T6P 0.428571 0.727273
130 DR5 0.428571 0.888889
131 GLA GLA FUC 0.428571 0.914286
132 NAG GAL 0.428571 0.733333
133 RZM 0.428571 0.652174
134 2M8 0.42623 0.911765
135 MAN MAN BMA MAN 0.424658 0.941176
136 MAN MAN MAN MAN 0.424658 0.941176
137 IFM BMA 0.424242 0.704545
138 BGC OXZ 0.424242 0.632653
139 BMA IFM 0.424242 0.704545
140 IFM BGC 0.424242 0.704545
141 MAN MAN BMA 0.424242 0.941176
142 MAN MNM 0.424242 0.711111
143 MAN 7D1 0.421875 0.837838
144 GAL NGA A2G 0.418919 0.673469
145 NOJ GLC 0.41791 0.688889
146 FMO 0.41791 0.820513
147 MAN MAN MAN GLC 0.416667 0.941176
148 GAL NAG FUC 0.415584 0.717391
149 FUC NDG GAL 0.415584 0.717391
150 GAL NDG FUC 0.415584 0.717391
151 FUC NAG GAL 0.415584 0.717391
152 ABL 0.411765 0.702128
153 GAL NAG GAL BGC 0.407407 0.733333
154 BGC GAL NAG GAL 0.407407 0.733333
155 LAT NAG GAL 0.407407 0.733333
156 MAL EDO 0.402985 0.888889
157 MAN MMA MAN 0.402778 0.888889
158 WZ3 0.402597 0.864865
159 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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