Receptor
PDB id Resolution Class Description Source Keywords
2MAN 1.9 Å EC: 3.2.1.78 MANNOTRIOSE COMPLEX OF THERMOMONOSPORA FUSCA BETA-MANNANASE THERMOBIFIDA FUSCA MANNANASE GLYCOSYL HYDROLASE FAMILY 5 THERMOMONOSPORA FUSCA
Ref.: HIGH-RESOLUTION NATIVE AND COMPLEX STRUCTURES OF THERMOSTABLE BETA-MANNANASE FROM THERMOMONOSPORA FUSCA - SUBSTRATE SPECIFICITY IN GLYCOSYL HYDROLASE FAMILY 5. STRUCTURE V. 6 1433 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA MAN A:402;
Valid;
none;
submit data
326.298 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MAN 1.6 Å EC: 3.2.1.78 MANNOHEXAOSE COMPLEX OF THERMOMONOSPORA FUSCA BETA-MANNANASE THERMOBIFIDA FUSCA MANNANASE GLYCOSYL HYDROLASE FAMILY 5 THERMOMONOSPORA FUSCA MANNOHEXAOSE COMPLEX
Ref.: HIGH-RESOLUTION NATIVE AND COMPLEX STRUCTURES OF THERMOSTABLE BETA-MANNANASE FROM THERMOMONOSPORA FUSCA - SUBSTRATE SPECIFICITY IN GLYCOSYL HYDROLASE FAMILY 5. STRUCTURE V. 6 1433 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3MAN - BMA BMA MAN n/a n/a
2 2MAN - BMA MAN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3MAN - BMA BMA MAN n/a n/a
2 2MAN - BMA MAN n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2WHL - MAN BMA BMA n/a n/a
2 3MAN - BMA BMA MAN n/a n/a
3 2MAN - BMA MAN n/a n/a
4 4Y7E - BMA BMA BMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BMA MAN; Similar ligands found: 217
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA MAN 1 1
2 GAL BGC BGC XYS 0.590909 0.916667
3 AGL GLC 0.586207 0.785714
4 G2F BGC BGC BGC BGC BGC 0.57377 0.846154
5 NAG BMA 0.57377 0.708333
6 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.573333 0.944444
7 BGC BGC XYS BGC XYS GAL 0.573333 0.944444
8 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.573333 0.944444
9 GAL BGC 0.566038 0.914286
10 LAT 0.566038 0.914286
11 BGC GAL 0.566038 0.914286
12 BGC GLC 0.566038 0.914286
13 CBI 0.566038 0.914286
14 GLC BGC 0.566038 0.914286
15 GLA GAL 0.566038 0.914286
16 BMA BMA 0.566038 0.914286
17 CBK 0.566038 0.914286
18 GLA GLA 0.566038 0.914286
19 BMA GAL 0.566038 0.914286
20 GAL GLC 0.566038 0.914286
21 GLC GAL 0.566038 0.914286
22 MAL MAL 0.566038 0.888889
23 BGC BMA 0.566038 0.914286
24 MAL 0.566038 0.914286
25 N9S 0.566038 0.914286
26 MAB 0.566038 0.914286
27 LBT 0.566038 0.914286
28 B2G 0.566038 0.914286
29 LAT GLA 0.54717 0.914286
30 TRE 0.543478 0.914286
31 BGC BGC BGC XYS GAL 0.541667 0.916667
32 M3M 0.537037 0.914286
33 MAN GLC 0.537037 0.914286
34 LB2 0.537037 0.914286
35 KHO 0.527273 0.864865
36 BGC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.526316 0.914286
38 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
39 BGC GLC GLC GLC 0.526316 0.914286
40 BGC BGC BGC GLC 0.526316 0.914286
41 GAL GAL GAL 0.526316 0.914286
42 GLC BGC BGC BGC BGC 0.526316 0.914286
43 MT7 0.526316 0.914286
44 CE5 0.526316 0.914286
45 BGC BGC BGC BGC BGC BGC 0.526316 0.914286
46 CE6 0.526316 0.914286
47 BMA BMA BMA BMA BMA BMA 0.526316 0.914286
48 GLC GLC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
49 MTT 0.526316 0.914286
50 GLA GAL GLC 0.526316 0.914286
51 GLC BGC BGC 0.526316 0.914286
52 BMA MAN BMA 0.526316 0.914286
53 CEY 0.526316 0.914286
54 GLC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
55 CT3 0.526316 0.914286
56 CTR 0.526316 0.914286
57 B4G 0.526316 0.914286
58 CTT 0.526316 0.914286
59 DXI 0.526316 0.914286
60 GLC BGC BGC BGC BGC BGC 0.526316 0.914286
61 MAN BMA BMA BMA BMA 0.526316 0.914286
62 GLC GAL GAL 0.526316 0.914286
63 GLC GLC BGC 0.526316 0.914286
64 MAN MAN BMA BMA BMA BMA 0.526316 0.914286
65 CEX 0.526316 0.914286
66 BMA BMA BMA BMA BMA 0.526316 0.914286
67 BGC GLC GLC GLC GLC 0.526316 0.914286
68 BGC GLC GLC 0.526316 0.914286
69 GLC GLC BGC GLC GLC GLC GLC 0.526316 0.914286
70 GLC BGC GLC 0.526316 0.914286
71 GLC GLC GLC GLC GLC 0.526316 0.914286
72 U63 0.526316 0.820513
73 MAN BMA BMA 0.526316 0.914286
74 CE8 0.526316 0.914286
75 MLR 0.526316 0.914286
76 BMA BMA BMA 0.526316 0.914286
77 NOJ GLC 0.525424 0.790698
78 BGC BGC 0.518519 0.914286
79 MAN MAN 0.518519 0.914286
80 2M4 0.518519 0.914286
81 MMA MAN 0.517857 0.864865
82 RZM 0.517857 0.711111
83 DR5 0.517857 0.864865
84 BGC BGC BGC ASO BGC BGC ASO 0.517241 0.914286
85 GLC BGC BGC BGC BGC BGC BGC 0.517241 0.914286
86 BGC BGC BGC 0.517241 0.914286
87 BGC BGC BGC BGC BGC 0.517241 0.914286
88 BGC BGC BGC GLC BGC BGC 0.517241 0.914286
89 5QP 0.517241 0.970588
90 GLC BGC BGC BGC 0.517241 0.914286
91 BGC BGC GLC 0.516667 0.914286
92 GLC GLC BGC XYS BGC XYS 0.513889 0.916667
93 DOM 0.508772 0.916667
94 MAL EDO 0.508475 0.916667
95 GLA GAL GAL 0.508197 0.914286
96 GLA GAL BGC 0.508197 0.914286
97 QPU 0.507246 0.790698
98 BGC BGC BGC XYS BGC BGC 0.5 0.916667
99 GLC DMJ 0.5 0.790698
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.5 0.916667
101 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.5 0.916667
102 GAL BGC BGC BGC XYS BGC XYS 0.493671 0.916667
103 BGC BGC BGC XYS BGC XYS GAL 0.493671 0.916667
104 BMA BMA BMA BMA BMA BMA MAN 0.491803 0.888889
105 MAN BMA BMA BMA BMA BMA 0.491803 0.888889
106 GLA EGA 0.491525 0.864865
107 NOY BGC 0.491525 0.695652
108 GAL MBG 0.491228 0.864865
109 MDM 0.491228 0.864865
110 M13 0.491228 0.864865
111 GLA MBG 0.490909 0.864865
112 BGC BGC G2F SHG 0.486111 0.825
113 GLC GLC XYP 0.484848 0.914286
114 BGC OXZ 0.483333 0.6875
115 9MR 0.483333 0.767442
116 BMA IFM 0.483333 0.767442
117 MAN MNM 0.483333 0.695652
118 IFM BMA 0.483333 0.767442
119 IFM BGC 0.483333 0.767442
120 GAL NAG GAL 0.479452 0.723404
121 BGC BGC BGC BGC 0.476923 0.914286
122 BGC BGC BGC BGC BGC BGC BGC BGC 0.476923 0.914286
123 NLC 0.47619 0.680851
124 GAL NDG 0.47619 0.680851
125 NDG GAL 0.47619 0.680851
126 FMO 0.47541 0.8
127 BMA BMA MAN 0.474576 0.888889
128 GAL FUC 0.474576 0.861111
129 NAG NAG BMA 0.472973 0.653846
130 NAG NDG BMA 0.472973 0.653846
131 GAL BGC BGC BGC XYS XYS 0.46988 0.916667
132 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.46988 0.916667
133 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.46988 0.916667
134 GLC BGC BGC XYS BGC XYS XYS GAL 0.46988 0.916667
135 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.46988 0.916667
136 ABL 0.467742 0.6875
137 CGC 0.467742 0.861111
138 MVP 0.467742 0.717391
139 G2I 0.462687 0.75
140 OXZ BGC BGC 0.462687 0.673469
141 G3I 0.462687 0.75
142 BMA MAN MAN 0.460317 0.914286
143 MAN MAN BMA 0.459016 0.914286
144 MAN 7D1 0.457627 0.916667
145 AHR XYS XYS 0.455882 0.891892
146 FUC BGC GAL 0.454545 0.888889
147 8VZ 0.453125 0.627451
148 GLA GAL BGC 5VQ 0.453125 0.820513
149 GLC BDF 0.453125 0.944444
150 GLC GLC XYS 0.449275 0.888889
151 GLC GLC XYS XYS 0.449275 0.888889
152 BGC BGC XYS BGC XYS BGC XYS 0.447368 0.916667
153 GLC BGC BGC XYS BGC XYS XYS 0.447368 0.916667
154 BGC BGC BGC XYS BGC XYS XYS 0.447368 0.916667
155 BGC BGC XYS BGC 0.445946 0.916667
156 LSE 0.442857 0.64
157 BMA BMA GLA BMA BMA 0.442857 0.914286
158 FRU GAL 0.442623 0.820513
159 BMA FRU 0.442623 0.820513
160 GLC GLC GLC GLC GLC GLC 0.441176 0.914286
161 FUC GLA GLA 0.439394 0.888889
162 GLA GAL FUC 0.439394 0.888889
163 GAL GAL FUC 0.439394 0.888889
164 GAL GAL SO4 0.439394 0.653061
165 GLA GLA FUC 0.439394 0.888889
166 FUC GAL GLA 0.439394 0.888889
167 NAG NAG BMA MAN 0.439024 0.653846
168 AHR XYP XYP XYP 0.438356 0.891892
169 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.891892
170 GLA MAN ABE 0.43662 0.891892
171 MAN BMA NAG 0.43662 0.680851
172 XYS GAL FUC 0.43662 0.916667
173 NAG GAL GAL 0.43662 0.680851
174 GLA MMA ABE 0.43662 0.846154
175 GLA GAL NAG 0.43662 0.680851
176 GLA GAL GLC NBU 0.432836 0.780488
177 GAL A2G 0.430769 0.680851
178 GAL NGA 0.430769 0.680851
179 GAL MGC 0.430769 0.653061
180 A2G GAL 0.430769 0.680851
181 MAN MAN MAN GLC 0.426471 0.914286
182 BMA BMA BMA BMA GLA BMA GLA 0.425287 0.871795
183 LMU 0.42029 0.767442
184 GAL NOK 0.42029 0.641509
185 UMQ 0.42029 0.767442
186 DMU 0.42029 0.767442
187 NOK GAL 0.42029 0.641509
188 LMT 0.42029 0.767442
189 MAN DGO 0.419355 0.888889
190 10M 0.416667 0.717391
191 T6P 0.416667 0.711111
192 SOR GLC GLC 0.414286 0.942857
193 BGC GLA GAL FUC 0.413333 0.888889
194 CM5 0.413333 0.868421
195 ISX 0.412698 0.744186
196 GYP 0.411765 0.833333
197 AMG 0.411765 0.833333
198 GLC GLC GLC GLC 0.411765 0.914286
199 MMA 0.411765 0.833333
200 MBG 0.411765 0.833333
201 NAG GAL GAL NAG GAL 0.410256 0.64
202 FUC NAG GLA GAL 0.409639 0.6875
203 MAN BMA MAN MAN MAN 0.408451 0.914286
204 GLC GLC GLC BGC 0.408451 0.914286
205 M5S 0.408451 0.914286
206 EBQ 0.40678 0.864865
207 EBG 0.40678 0.864865
208 GLC IFM 0.40625 0.744186
209 MAN IFM 0.40625 0.744186
210 GAL NAG MAN 0.405405 0.680851
211 MAN NAG GAL 0.405405 0.680851
212 AHR XYS XYP XYP XYP 0.405405 0.891892
213 SOR GLC GLC GLC 0.402778 0.942857
214 6UZ 0.402778 0.825
215 GAL BGC NAG GAL 0.402597 0.680851
216 P3M 0.4 0.711111
217 GLC 7LQ 0.4 0.861111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MAN; Ligand: BMA BMA MAN; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 3man.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5OO5 UUA 0.01254 0.41682 None
2 4X7G 3Y8 0.0483 0.40199 1.19522
3 1DL5 SAH 0.0312 0.41149 1.65563
4 4UTW RFW 0.015 0.41495 1.74672
5 1FL2 FAD 0.03706 0.41824 1.98676
6 2NNQ T4B 0.03969 0.40668 2.29008
7 3QVP FAD 0.03737 0.41805 2.98013
8 3ABA FLI 0.02645 0.41568 2.98013
9 3D5Z FUB AHR AHR 0.01141 0.41331 2.98013
10 3OOI SAM 0.03319 0.40315 3.01724
11 2RAB FAD 0.02938 0.42604 3.31126
12 2RAB NAD 0.04699 0.42604 3.31126
13 3KJS NAP 0.04039 0.40734 3.64238
14 5GLN XYP XYP XYP 0.04266 0.40308 3.64238
15 5GLN XYS 0.04266 0.40308 3.64238
16 3OJF NDP 0.03838 0.40638 3.89105
17 4XYM COA 0.03112 0.42412 3.91304
18 4PIO AVI 0.04272 0.40507 4.30464
19 4PIO SAH 0.04445 0.40507 4.30464
20 2QE4 JJ3 0.034 0.41553 4.43548
21 5A0R ACE GLU VAL ASN PRO 0.01236 0.43075 4.54545
22 4MNS 2AX 0.03896 0.41073 5.03145
23 5JE0 SAH 0.01988 0.41438 5.26316
24 5JE0 AZ8 0.01988 0.41438 5.26316
25 3HCN CHD 0.03202 0.42287 5.62914
26 1HV9 UD1 0.008815 0.43587 6.95364
27 5F1X ATP 0.03519 0.4054 7.94702
28 3MQ2 SAH 0.002331 0.4622 12.3853
29 1J3R 6PG 0.01375 0.40678 13.1579
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