Receptor
PDB id Resolution Class Description Source Keywords
2VX6 1.57 Å EC: 3.2.1.- CELLVIBRIO JAPONICUS MANNANASE CJMAN26C GAL1MAN4-BOUND FORM CELLVIBRIO JAPONICUS MANNO- OLIGOSACCHARIDE HYDROLASE GAL1MAN4 CJMAN26C MANNACELLVIBRIO JAPONICUS
Ref.: THE CELLVIBRIO JAPONICUS MANNANASE CJMAN26C DISPLAY UNIQUE EXO-MODE OF ACTION THAT IS CONFERRED BY SUBT CHANGES TO THE DISTAL REGION OF THE ACTIVE SITE. J.BIOL.CHEM. V. 283 34403 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:1425;
A:1426;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
BMA BMA BMA BMA GLA B:1;
 Valid;
 none;
 submit data
828.72 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CD5 1.1 Å EC: 3.2.1.- THE STRUCTURE OF GH26 BETA-MANNANASE CJMAN26C FROM CELLVIBRI JAPONICUS IN COMPLEX WITH MANMIM CELLVIBRIO JAPONICUS HYDROLASE BETA-MANNOSIDASE MANNOSIDASE GLYCOSIDE HYDROLASGH113 CAZY ENZYME-CARBOHYDRATE INTERACTION MANNOSE GLYCINHIBITION QUANTUM MECHANICS BIOCATALYSIS CONFORMATION
Ref.: COMBINED INHIBITOR FREE-ENERGY LANDSCAPE AND STRUCT ANALYSIS REPORTS ON THE MANNOSIDASE CONFORMATIONAL COORDINATE. ANGEW.CHEM.INT.ED.ENGL. V. 53 1087 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2VX7 - BMA BMA n/a n/a
2 2VX6 - BMA BMA BMA BMA GLA n/a n/a
3 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
4 4CD4 Ki = 263 nM BMA IFM n/a n/a
5 4CD5 Ki = 194 nM BMA MVL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2VX7 - BMA BMA n/a n/a
2 2VX6 - BMA BMA BMA BMA GLA n/a n/a
3 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
4 4CD4 Ki = 263 nM BMA IFM n/a n/a
5 4CD5 Ki = 194 nM BMA MVL n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ODZ - MAN BMA n/a n/a
2 1GVY - MBF NIN BMA BMA n/a n/a
3 1GW1 - NIN MBF BMA BMA n/a n/a
4 2WHM - MAN BMA n/a n/a
5 2VX7 - BMA BMA n/a n/a
6 2VX6 - BMA BMA BMA BMA GLA n/a n/a
7 2VX5 - BMA C6 H12 O6 C([C@@H]1[....
8 4CD4 Ki = 263 nM BMA IFM n/a n/a
9 4CD5 Ki = 194 nM BMA MVL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA BMA BMA BMA GLA; Similar ligands found: 136
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA BMA BMA BMA GLA 1 1
2 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.933333 1
3 BGC GLC GLC GLC 0.825397 1
4 GLC GLC GLC GLC GLC 0.825397 1
5 BGC GLC GLC 0.761905 1
6 GLC GLC GLC GLC BGC GLC GLC 0.758621 1
7 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.758621 1
8 MAN BMA BMA BMA BMA BMA BMA 0.758621 1
9 BGC BGC BGC BGC BGC XYS 0.726027 0.942857
10 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.726027 0.942857
11 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.726027 0.942857
12 BGC BGC BGC XYS BGC XYS 0.69863 0.942857
13 BGC BGC BGC BGC BGC BGC BGC BGC 0.656716 1
14 BMA BMA BMA BMA GLA BMA GLA 0.649351 0.916667
15 BGC BGC BGC XYS XYS GAL GAL 0.6375 0.942857
16 BGC BGC BGC XYS BGC XYS XYS 0.623377 0.942857
17 BGC BGC BGC XYS BGC XYS GAL 0.621951 0.942857
18 NAG GAL BGC GAL 0.597403 0.733333
19 BGC GAL GLA 0.597015 1
20 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.593023 0.942857
21 BGC BGC BGC XYS BGC XYS XYS GAL 0.593023 0.942857
22 BGC GLA GAL 0.590164 1
23 BGC BGC BGC XYS 0.584416 0.942857
24 BMA MAN MAN 0.57971 1
25 BGC BGC XYS GAL 0.578947 0.942857
26 G2F SHG BGC BGC 0.565217 0.891892
27 BGC GAL NGA GAL 0.564103 0.733333
28 BGC BGC XYS BGC XYS XYS GAL 0.551724 0.942857
29 BGC 5VQ GAL GLA 0.542857 0.891892
30 MAN BMA BMA 0.542857 0.942857
31 BMA BMA BMA BMA 0.541667 0.941176
32 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.535211 0.970588
33 GLC GLC AC1 0.535211 0.744186
34 BGC GAL NGA 0.532468 0.733333
35 BGC GLC GLC GLC GLC 0.530303 1
36 BGC GLC GLC GLC GLC GLC 0.530303 1
37 GLC EDO GLC 0.529412 0.942857
38 BGC GAL GLA NGA GAL 0.52381 0.733333
39 BGC GLC AGL GLC GLC GLC 0.52381 0.717391
40 GLC NBU GAL GLA 0.520548 0.846154
41 GLC GLC GLC 0.52 0.942857
42 BGC BGC BGC BGC 0.519481 1
43 MGL GAL 0.515152 0.942857
44 BGC BGC XYS XYS GAL 0.505747 0.942857
45 G2F BGC BGC BGC BGC BGC 0.5 0.868421
46 MAN MAN BMA 0.5 0.942857
47 BGC GAL GLA NGA 0.494118 0.733333
48 BGC GAL NAG NAG GAL GAL 0.483871 0.6875
49 GLC GLC GLC G6D ACI GLC GLC 0.483516 0.733333
50 MMA MAN MAN 0.48 0.942857
51 ARE 0.478723 0.733333
52 AAO 0.478723 0.733333
53 BGC BGC BGC XYS XYS GAL 0.477778 0.916667
54 BGC GAL NAG GAL 0.47619 0.733333
55 BGC GAL FUC GLA 0.47561 0.970588
56 GLC GLC XYS XYS 0.474359 0.914286
57 FRU BGC BGC BGC 0.473684 0.868421
58 BGC XGP 0.472222 0.785714
59 6SA 0.470588 0.733333
60 BGC BGC GLC BGC XYS BGC XYS XYS 0.46988 0.916667
61 AHR AHR AHR AHR AHR AHR 0.469697 0.857143
62 AHR AHR AHR AHR AHR 0.469697 0.857143
63 AHR AHR AHR AHR 0.469697 0.857143
64 MAN MAN MAN 0.469136 0.970588
65 AHR AHR 0.46875 0.857143
66 G3I 0.467532 0.767442
67 UMQ 0.467532 0.785714
68 G2I 0.467532 0.767442
69 BGC GAL FUC 0.467532 0.970588
70 GLC GAL BGC FUC 0.467532 0.970588
71 LMU 0.467532 0.785714
72 LMT 0.467532 0.785714
73 BGC OXZ BGC 0.467532 0.6875
74 DMU 0.467532 0.785714
75 MAN MAN MAN MAN MAN MAN MAN 0.465116 1
76 GLC GLC FRU 0.463415 0.868421
77 GLC GLC AGL HMC GLC 0.463158 0.702128
78 GLC GLC AC1 GLC GLC GLC 0.463158 0.702128
79 GLC GLC G6D GLC ACI GLC 0.463158 0.702128
80 GAL GLA 0.462687 1
81 FUC GAL 0.457143 0.941176
82 XYS GLC GLC 0.455696 0.970588
83 NAG NAG MAN MAN MAN 0.452632 0.6875
84 GLC GAL EMB GAL MEC 0.452632 0.622642
85 BGC Z9D 0.450704 0.970588
86 6UZ 0.45 0.846154
87 LAG 0.45 0.6
88 GPM GLC 0.445946 0.767442
89 H1M MAN MAN 0.444444 0.868421
90 GLC GLC G6D ADH GLC GLC 0.444444 0.717391
91 SOR GLC GLC 0.443038 0.970588
92 GLC GLC AGL HMC 0.442105 0.717391
93 NAG GAL 0.44 0.733333
94 GLC BGC G6D ACI 0.43956 0.733333
95 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.438776 0.733333
96 TXT 0.438202 0.767442
97 BQZ 0.4375 0.909091
98 QV4 0.43617 0.733333
99 BGC GAL NAG 0.435294 0.733333
100 BGC SGA 0.434211 0.66
101 LSE 0.432099 0.6875
102 GLC GLC GLC SGC PO4 GLC 0.431579 0.66
103 BGC BGC BGC BGC BGC BGC 0.430556 1
104 BGC BGC BGC BGC BGC BGC BGC 0.430556 1
105 BGC BGC BGC BGC BGC 0.430556 1
106 BGC BGC BGC 0.430556 1
107 GLC BGC BGC BGC 0.430556 1
108 BMA MAN MAN MAN MAN 0.430233 0.942857
109 NBG BGC BGC XYS BGC XYS XYS 0.430108 0.702128
110 RCB 0.428571 0.622642
111 MMA MAN 0.428571 0.942857
112 GAL GLC GLD ACI 0.426966 0.733333
113 CM5 0.423529 0.891892
114 BGC FUC GAL 0.423077 0.970588
115 GLC BGC FUC GAL 0.423077 0.970588
116 C4W NAG FUC BMA 0.42268 0.634615
117 BGC 4MU BGC BGC BGC 0.422222 0.767442
118 GLC GLC G6D ACI 0.421053 0.702128
119 MA4 0.418605 0.891892
120 GLO GLC GLC GLC 0.418605 0.942857
121 BMA NGT MAN MAN 0.414894 0.66
122 GLC BGC BGC 0.414634 0.942857
123 GAL NAG GAL 0.411765 0.733333
124 BGC 4MU BGC 0.411111 0.767442
125 10M 0.409639 0.733333
126 MAN BMA MAN MAN MAN MAN MAN 0.408602 0.942857
127 BMA MAN NAG 0.406977 0.733333
128 NAG BMA MAN MAN MAN MAN 0.40625 0.733333
129 MBG GLA 0.405797 0.942857
130 GAL SO4 GAL 0.405063 0.66
131 NPJ 0.404762 0.622642
132 NDG BMA MAN MAN NAG MAN MAN 0.401869 0.6875
133 BMA MAN MAN MAN 0.4 0.916667
134 Z9N GLC 0.4 0.842105
135 ACG 0.4 0.695652
136 MAN NAG GAL 0.4 0.733333
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA BMA BMA BMA GLA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CD5; Ligand: BMA MVL; 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: 4cd5.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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