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 MANNANASE CELLVIBRIO JAPONICUS
Ref.: THE CELLVIBRIO JAPONICUS MANNANASE CJMAN26C DISPLAYS A UNIQUE EXO-MODE OF ACTION THAT IS CONFERRED BY SUBTLE 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
BMA BMA GLA BMA BMA A:1421;
Valid;
none;
submit data
828.72 n/a O(CC1...
NA A:1425;
A:1426;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
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 CELLVIBRIO 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 - MAB C12 H22 O11 C([C@@H]1[....
2 2VX6 - BMA BMA GLA BMA BMA 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 - MAB C12 H22 O11 C([C@@H]1[....
2 2VX6 - BMA BMA GLA BMA BMA 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 - NIN MBF 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 - MAB C12 H22 O11 C([C@@H]1[....
6 2VX6 - BMA BMA GLA BMA BMA 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
Ligand no: 1; Ligand: BMA BMA GLA BMA BMA; Similar ligands found: 224
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA BMA GLA BMA BMA 1 1
2 GLC GLC GLC BGC 0.825397 1
3 BGC BGC BGC BGC BGC 0.758621 1
4 MAN BMA BMA BMA BMA 0.758621 1
5 BMA BMA BMA BMA BMA 0.758621 1
6 BGC BGC GLC 0.758621 1
7 BGC BGC BGC 0.758621 1
8 DXI 0.758621 1
9 MAN BMA BMA 0.758621 1
10 MLR 0.758621 1
11 CEX 0.758621 1
12 GLC BGC BGC BGC 0.758621 1
13 GLC BGC BGC BGC BGC 0.758621 1
14 MAN MAN BMA BMA BMA BMA 0.758621 1
15 GLC BGC BGC BGC BGC BGC 0.758621 1
16 BGC GLC GLC 0.758621 1
17 GLC GAL GAL 0.758621 1
18 BGC BGC BGC GLC 0.758621 1
19 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.758621 1
20 BMA BMA BMA BMA BMA BMA 0.758621 1
21 BGC GLC GLC GLC GLC 0.758621 1
22 MAN BMA BMA BMA BMA BMA 0.758621 1
23 BGC BGC BGC BGC BGC BGC 0.758621 1
24 BGC GLC GLC GLC 0.758621 1
25 GLA GAL GLC 0.758621 1
26 CT3 0.758621 1
27 GAL GAL GAL 0.758621 1
28 CEY 0.758621 1
29 B4G 0.758621 1
30 GLC BGC BGC 0.758621 1
31 BGC BGC BGC BGC 0.758621 1
32 CE8 0.758621 1
33 GLC GLC BGC 0.758621 1
34 GLC BGC GLC 0.758621 1
35 CTT 0.758621 1
36 GLC GLC GLC GLC GLC 0.758621 1
37 BMA MAN BMA 0.758621 1
38 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.758621 1
39 BGC GLC GLC GLC GLC GLC GLC 0.758621 1
40 CE5 0.758621 1
41 CTR 0.758621 1
42 GLA GAL BGC 0.758621 1
43 CE6 0.758621 1
44 MT7 0.758621 1
45 MTT 0.758621 1
46 BMA BMA BMA 0.758621 1
47 BGC BGC BGC XYS BGC BGC 0.726027 0.942857
48 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.726027 0.942857
49 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.726027 0.942857
50 CBI 0.689655 1
51 LAT 0.689655 1
52 CBK 0.689655 1
53 N9S 0.689655 1
54 BGC BMA 0.689655 1
55 MAB 0.689655 1
56 MAL 0.689655 1
57 GLA GLA 0.689655 1
58 BMA GAL 0.689655 1
59 GLC GAL 0.689655 1
60 BGC GAL 0.689655 1
61 B2G 0.689655 1
62 LBT 0.689655 1
63 GLA GAL 0.689655 1
64 GAL BGC 0.689655 1
65 BGC BGC BGC XYS GAL 0.68 0.942857
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.656716 1
67 BGC BGC BGC XYS BGC XYS XYS 0.623377 0.942857
68 GLC BGC BGC XYS BGC XYS XYS 0.623377 0.942857
69 BGC BGC XYS BGC XYS BGC XYS 0.623377 0.942857
70 GAL BGC BGC BGC XYS BGC XYS 0.621951 0.942857
71 BGC BGC BGC XYS BGC XYS GAL 0.621951 0.942857
72 GAL BGC NAG GAL 0.597403 0.733333
73 GLA GAL GAL 0.597015 1
74 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.593023 0.942857
75 GLC BGC BGC XYS BGC XYS XYS GAL 0.593023 0.942857
76 GAL BGC BGC BGC XYS XYS 0.593023 0.942857
77 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.593023 0.942857
78 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.593023 0.942857
79 LAT GLA 0.590164 1
80 BGC BGC XYS BGC 0.584416 0.942857
81 MAN BMA MAN 0.57971 1
82 GAL BGC BGC XYS 0.578947 0.942857
83 ABD 0.567901 0.75
84 GLA EGA 0.560606 0.942857
85 MAN BMA 0.546875 1
86 GAL GLC 0.546875 1
87 MAN MAN 0.546875 1
88 BMA MAN 0.546875 1
89 GLC GLC 0.546875 1
90 GLA BMA 0.546875 1
91 GLA BGC 0.546875 1
92 BGC GLC 0.546875 1
93 MLB 0.546875 1
94 GLC BGC 0.546875 1
95 LAK 0.546875 1
96 BGC GLA 0.546875 1
97 BMA GLA 0.546875 1
98 GAL GAL 0.546875 1
99 GLA GLC 0.546875 1
100 GLA GAL BGC 5VQ 0.542857 0.891892
101 BMA BMA BMA BMA 0.541667 0.941176
102 MAN MAN MAN MAN 0.540541 1
103 MAN MAN BMA MAN 0.540541 1
104 XYT 0.535211 0.767442
105 MAN BMA MAN MAN MAN 0.533333 1
106 M5S 0.533333 1
107 NGA GAL BGC 0.532468 0.733333
108 GLC GLC GLC GLC GLC BGC 0.530303 1
109 MAN MAN MAN 0.530303 1
110 GLC GLC GLC 0.530303 1
111 BMA MAN MAN 0.530303 1
112 GLC GLC GLC GLC BGC 0.530303 1
113 MAL EDO 0.529412 0.942857
114 GAL NGA GLA BGC GAL 0.52381 0.733333
115 GLA GAL GLC NBU 0.520548 0.846154
116 DR5 0.515152 0.942857
117 MMA MAN 0.515152 0.942857
118 GLC GLC XYP 0.506667 1
119 G2F BGC BGC BGC BGC BGC 0.5 0.868421
120 NGA GLA GAL BGC 0.494118 0.733333
121 GLC GLC G6D ACI GLC GLC GLC 0.483516 0.733333
122 LAT NAG GAL 0.482353 0.733333
123 GLC GAL NAG GAL 0.482353 0.733333
124 MAN MMA MAN 0.48 0.942857
125 ARE 0.478723 0.733333
126 AAO 0.478723 0.733333
127 U63 0.478261 0.891892
128 BGC BGC XYS BGC XYS GAL 0.477778 0.916667
129 BGC GAL NAG GAL 0.47619 0.733333
130 GAL NAG GAL GLC 0.47619 0.733333
131 BGC GLA GAL FUC 0.47561 0.970588
132 BGC BGC BGC FRU 0.473684 0.868421
133 6SA 0.470588 0.733333
134 FUB AHR AHR 0.469697 0.857143
135 AHR AHR AHR AHR AHR AHR 0.469697 0.857143
136 AHR AHR 0.46875 0.857143
137 FUB AHR 0.46875 0.857143
138 SOR GLC GLC GLC 0.468354 0.970588
139 GLO GLC GLC GLC 0.468354 0.970588
140 UMQ 0.467532 0.785714
141 GLC GAL FUC 0.467532 0.970588
142 DMU 0.467532 0.785714
143 G2I 0.467532 0.767442
144 LAT FUC 0.467532 0.970588
145 FUC GAL GLC 0.467532 0.970588
146 LMT 0.467532 0.785714
147 OXZ BGC BGC 0.467532 0.6875
148 BGC GAL FUC 0.467532 0.970588
149 LMU 0.467532 0.785714
150 8B7 0.467532 0.970588
151 G3I 0.467532 0.767442
152 MAN MAN MAN MAN MAN MAN MAN 0.465116 1
153 GLC GLC ACI G6D GLC GLC 0.463158 0.702128
154 GLC GLC AGL HMC GLC 0.463158 0.702128
155 ACR GLC GLC GLC 0.463158 0.702128
156 GLC GLC DAF BGC 0.463158 0.702128
157 MAN GLC 0.462687 1
158 NGR 0.462687 1
159 LB2 0.462687 1
160 M3M 0.462687 1
161 MAN MAN MAN BMA MAN 0.457831 1
162 GAL FUC 0.457143 0.941176
163 GLC GLC XYS 0.455696 0.970588
164 NAG NAG BMA MAN MAN 0.452632 0.6875
165 DEL 0.450704 0.970588
166 LAG 0.45 0.6
167 6UZ 0.45 0.846154
168 2M4 0.447761 1
169 SOR GLC GLC 0.443038 0.970588
170 BGC BGC 0.442857 0.914286
171 BMA BMA 0.442857 0.914286
172 NLC 0.44 0.733333
173 5GO 0.44 0.66
174 NDG GAL 0.44 0.733333
175 GAL NDG 0.44 0.733333
176 GLC G6D ACI GLC 0.43956 0.733333
177 GLC ACI GLD GLC 0.43956 0.733333
178 GLC ACI G6D BGC 0.43956 0.733333
179 GLC G6D ADH GLC 0.43956 0.733333
180 BMA MAN MAN MAN MAN 0.439024 1
181 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.438776 0.733333
182 GAC 0.438202 0.767442
183 TXT 0.438202 0.767442
184 BQZ 0.4375 0.909091
185 QV4 0.43617 0.733333
186 NAG GAL BGC 0.435294 0.733333
187 SGA BGC 0.434211 0.66
188 MVP 0.432432 0.733333
189 LSE 0.432099 0.6875
190 GLC GLC GLC PO4 SGC GLC 0.431579 0.66
191 BGC BGC BGC GLC BGC BGC 0.430556 1
192 GLC BGC BGC BGC BGC BGC BGC 0.430556 1
193 NBG BGC BGC XYS BGC XYS XYS 0.430108 0.702128
194 MAN MMA 0.428571 0.942857
195 RCB 0.428571 0.622642
196 DAF GLC GLC 0.426966 0.733333
197 ACI GLD GLC GAL 0.426966 0.733333
198 DAF BGC GLC 0.426966 0.733333
199 ACR 0.423913 0.733333
200 QPS 0.423913 0.733333
201 CM5 0.423529 0.891892
202 FUC BGC GAL 0.423077 0.970588
203 FUC C4W NAG BMA 0.42268 0.634615
204 4MU BGC BGC BGC BGC 0.422222 0.767442
205 WZ3 0.421687 0.916667
206 BMA MAN MAN MAN 0.421053 1
207 GLC ACI G6D GLC 0.421053 0.702128
208 GLC ACI GLD GAL 0.421053 0.702128
209 IAB 0.42 0.733333
210 MA4 0.418605 0.891892
211 BMA NGT MAN MAN 0.414894 0.66
212 4MU BGC BGC 0.411111 0.767442
213 TRE 0.409836 1
214 10M 0.409639 0.733333
215 MAN MAN MAN BMA MAN MAN MAN 0.408602 0.942857
216 NAG BMA MAN MAN MAN MAN 0.40625 0.733333
217 GLA MBG 0.405797 0.942857
218 MAN MAN BMA 0.405405 1
219 BMA BMA MAN 0.405405 1
220 GAL GAL SO4 0.405063 0.66
221 NPJ 0.404762 0.622642
222 M5G 0.401869 0.6875
223 GAL NAG MAN 0.4 0.733333
224 ACG 0.4 0.695652
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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