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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA BMA MAN A:401;
Valid;
none;
submit data
504.438 n/a O(C1C...
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 29 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 BMA MAN; Similar ligands found: 194
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA BMA MAN 1 1
2 MAN MAN BMA 1 1
3 MAN MAN MAN GLC 0.851852 1
4 2M4 0.808511 1
5 BMA MAN MAN MAN 0.655172 1
6 GLA MBG 0.603774 0.942857
7 FUC GAL 0.578947 0.941176
8 GAL NAG MAN 0.573529 0.733333
9 BMA MAN MAN MAN MAN 0.558824 1
10 BQZ 0.538462 0.909091
11 LBT 0.535714 1
12 GAL BGC 0.535714 1
13 LAT 0.535714 1
14 BMA GAL 0.535714 1
15 GLC GAL 0.535714 1
16 CBI 0.535714 1
17 BGC GAL 0.535714 1
18 B2G 0.535714 1
19 GLA GLA 0.535714 1
20 MAL 0.535714 1
21 N9S 0.535714 1
22 GLA GAL 0.535714 1
23 BGC BMA 0.535714 1
24 MAB 0.535714 1
25 CBK 0.535714 1
26 8B7 0.530303 0.970588
27 BGC GAL FUC 0.530303 0.970588
28 LAT FUC 0.530303 0.970588
29 FUC GAL GLC 0.530303 0.970588
30 GLC GAL FUC 0.530303 0.970588
31 TRE 0.510204 1
32 MAN GLC 0.508772 1
33 M3M 0.508772 1
34 NGR 0.508772 1
35 LB2 0.508772 1
36 OPM MAN MAN 0.507042 0.804878
37 GLC BGC GLC 0.5 1
38 CE8 0.5 1
39 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 1
40 CTT 0.5 1
41 GLC GLC BGC 0.5 1
42 GAL GAL GAL 0.5 1
43 DXI 0.5 1
44 BGC BGC BGC BGC BGC BGC 0.5 1
45 MAN BMA BMA BMA BMA BMA 0.5 1
46 GLC BGC BGC 0.5 1
47 GLA GAL GLC 0.5 1
48 CT3 0.5 1
49 MAN MAN MAN MAN MAN MAN MAN 0.5 1
50 BGC BGC BGC BGC 0.5 1
51 BGC GLC GLC GLC 0.5 1
52 CEY 0.5 1
53 BGC GLC GLC GLC GLC 0.5 1
54 B4G 0.5 1
55 MAN BMA BMA BMA BMA 0.5 1
56 BMA BMA BMA BMA BMA 0.5 1
57 CTR 0.5 1
58 BMA BMA BMA BMA BMA BMA 0.5 1
59 XYS GAL FUC 0.5 0.942857
60 GLC BGC BGC BGC BGC BGC 0.5 1
61 GLC GAL GAL 0.5 1
62 CEX 0.5 1
63 GLC GLC GLC GLC GLC 0.5 1
64 BGC GLC GLC 0.5 1
65 CE5 0.5 1
66 BGC BGC BGC BGC BGC 0.5 1
67 BMA MAN BMA 0.5 1
68 BGC GLC GLC GLC GLC GLC GLC 0.5 1
69 CE6 0.5 1
70 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 1
71 GLA GAL BGC 0.5 1
72 BMA BMA BMA 0.5 1
73 GLC BGC BGC BGC 0.5 1
74 MTT 0.5 1
75 BGC BGC GLC 0.5 1
76 BGC BGC BGC 0.5 1
77 MT7 0.5 1
78 MAN BMA BMA 0.5 1
79 GLC BGC BGC BGC BGC 0.5 1
80 MAN MAN BMA BMA BMA BMA 0.5 1
81 BGC BGC BGC GLC 0.5 1
82 MLR 0.5 1
83 GLC BGC BGC BGC BGC BGC BGC 0.491803 1
84 BGC BGC BGC GLC BGC BGC 0.491803 1
85 LAT GLA 0.491228 1
86 GAL GAL FUC 0.484848 0.970588
87 GLA GAL FUC 0.484848 0.970588
88 FUC GAL GLA 0.484848 0.970588
89 FUC GLA GLA 0.484848 0.970588
90 GLA GLA FUC 0.484848 0.970588
91 GLA GAL GAL 0.484375 1
92 GAL FUC 0.47541 0.941176
93 U63 0.47541 0.891892
94 MAN MAN MAN BMA MAN 0.472973 1
95 GLA EGA 0.467742 0.942857
96 GAL MBG 0.466667 0.942857
97 MMA MAN 0.466667 0.942857
98 RZM 0.466667 0.688889
99 M13 0.466667 0.942857
100 DR5 0.466667 0.942857
101 MDM 0.466667 0.942857
102 NAG BMA MAN MAN MAN MAN MAN 0.461538 0.868421
103 NDG GAL FUC 0.459459 0.717391
104 FUC GAL NAG 0.459459 0.717391
105 DR2 0.459459 0.717391
106 FUL GAL NAG 0.459459 0.717391
107 NAG GAL FUC 0.459459 0.717391
108 GAL NAG FUC 0.459459 0.717391
109 FUC GAL NDG 0.459459 0.717391
110 DOM 0.459016 0.942857
111 BGC BGC 0.459016 0.914286
112 BMA BMA 0.459016 0.914286
113 BGC BGC BGC BGC BGC BGC BGC BGC 0.455882 1
114 NLC 0.454545 0.733333
115 GAL NDG 0.454545 0.733333
116 NDG GAL 0.454545 0.733333
117 DR3 0.453333 0.717391
118 FMO 0.453125 0.868421
119 MAN MAN MAN BMA MAN MAN MAN 0.451219 0.942857
120 MAN MAN MAN MAN MAN MAN MAN MAN 0.447059 0.846154
121 GAL NAG FUC FUC 0.441558 0.702128
122 FUC GAL NAG FUC 0.441558 0.702128
123 FUC NDG GAL FUC 0.441558 0.702128
124 GAL NDG FUC FUC 0.441558 0.702128
125 FUC NAG GAL FUC 0.441558 0.702128
126 BDZ 0.441558 0.702128
127 BCW 0.441558 0.702128
128 FUC GAL NDG FUC 0.441558 0.702128
129 GAL BGC BGC XYS 0.44 0.942857
130 GDQ GLC 0.439394 0.666667
131 MAL EDO 0.4375 0.942857
132 FUC BGC GAL 0.434783 0.970588
133 BGC GLA GAL FUC 0.434211 0.970588
134 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.433333 0.733333
135 GAL A2G 0.432836 0.733333
136 GAL NGA 0.432836 0.733333
137 A2G GAL 0.432836 0.733333
138 NOJ GLC 0.430769 0.695652
139 MAN BMA MAN 0.426471 1
140 MVP 0.424242 0.733333
141 ABL 0.424242 0.702128
142 CGC 0.424242 0.941176
143 BMA FRU 0.421875 0.842105
144 FRU GAL 0.421875 0.842105
145 5QP 0.421875 0.885714
146 MAN DGO 0.421875 0.914286
147 FUC GAL NAG GAL BGC 0.420455 0.717391
148 GLC NAG GAL GAL FUC 0.420455 0.717391
149 GAL GLC NAG GAL FUC 0.420455 0.717391
150 GLA MAN ABE 0.418919 0.916667
151 MAN BMA NAG 0.418919 0.733333
152 GLA GAL NAG 0.418919 0.733333
153 MAN MAN MAN MAN 0.416667 1
154 MAN MAN BMA MAN 0.416667 1
155 9MR 0.415385 0.744186
156 BGC OXZ 0.415385 0.666667
157 BMA IFM 0.415385 0.711111
158 IFM BMA 0.415385 0.711111
159 IFM BGC 0.415385 0.711111
160 AMG 0.415094 0.857143
161 GYP 0.415094 0.857143
162 MBG 0.415094 0.857143
163 MMA 0.415094 0.857143
164 GAL GAL SO4 0.414286 0.66
165 G2F BGC BGC BGC BGC BGC 0.414286 0.868421
166 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.413793 0.825
167 8VZ 0.411765 0.673469
168 GLA GAL BGC 5VQ 0.411765 0.891892
169 MAN MNM 0.409091 0.702128
170 GLC DMJ 0.409091 0.695652
171 NOY BGC 0.409091 0.702128
172 NAG MAN BMA 0.407895 0.733333
173 BMA BMA GLA BMA BMA 0.405405 1
174 GAL BGC NAG GAL 0.405063 0.733333
175 MAN BMA NAG NAG MAN NAG GAL GAL 0.404255 0.673469
176 NAG MAN MAN MAN NAG GAL NAG GAL 0.404255 0.673469
177 GLA BGC 0.403226 1
178 GAL GLC 0.403226 1
179 GLA BMA 0.403226 1
180 MAN MAN 0.403226 1
181 MLB 0.403226 1
182 GLC BGC 0.403226 1
183 BGC GLC 0.403226 1
184 GAL GAL 0.403226 1
185 BMA MAN 0.403226 1
186 GLC GLC 0.403226 1
187 LAK 0.403226 1
188 GLA GLC 0.403226 1
189 BMA GLA 0.403226 1
190 BGC GLA 0.403226 1
191 MAN BMA 0.403226 1
192 GLC GLC XYP 0.402778 1
193 GLC GAL NAG GAL FUC FUC 0.402174 0.702128
194 BGC GAL NAG GAL FUC FUC 0.402174 0.702128
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 with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 3man.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5OO5 UUA None
2 4X7G 3Y8 1.19522
3 2A8Y MTA 1.48148
4 3C3N FMN 1.65563
5 1DL5 SAH 1.65563
6 4UTW RFW 1.74672
7 4UTU LRY 1.74672
8 1FL2 FAD 1.98676
9 4I42 1HA 2.10526
10 2NNQ T4B 2.29008
11 6G1P CIT 2.31788
12 3PLN U5P 2.64901
13 6AMI TRP 2.64901
14 2PGJ N1C 2.67176
15 3VC1 GST 2.98013
16 3QVP FAD 2.98013
17 3ABA FLI 2.98013
18 2RAB NAD 3.31126
19 2RAB FAD 3.31126
20 5Z99 SLB 3.31126
21 3IQE F42 3.31126
22 5WUW NAP 3.48432
23 2WSB NAD 3.54331
24 3P2E SAH 3.55556
25 3KJS NAP 3.64238
26 5GLN XYS 3.64238
27 5GLN XYP XYP XYP 3.64238
28 5ANU 58T 3.79747
29 4XYM COA 3.91304
30 4PIO AVI 4.30464
31 4PIO SAH 4.30464
32 5A0R ACE GLU VAL ASN PRO 4.54545
33 5OE4 3UK 4.63576
34 5CG1 NAD BBN 4.96689
35 3UZO GLU 4.96689
36 3UZO PLP 4.96689
37 5XKT GNP 5
38 4MNS 2AX 5.03145
39 6B2M COA 5.24476
40 3HCN CHD 5.62914
41 3NY4 SMX 5.66038
42 5Z2L NDP 5.71429
43 1GXS DKA 6.32911
44 1HV9 UD1 6.95364
45 5DUS APR 7.7381
46 3BW2 FMN 7.85908
47 5EXW 7DT 7.94702
48 4I4Z 2NE 8
49 5ZFJ 9BF 8.37004
50 2FLI DX5 9.09091
51 1NAA 6FA 9.93377
52 4WEY EG6 10.0529
53 4B3J COA 10.4218
54 3MQ2 SAH 12.3853
55 2VZ0 NAP 12.6866
56 2VZ0 D64 12.6866
57 1J3R 6PG 13.1579
58 4U8P UDP 14.5695
59 4U8P FDA 14.5695
60 1Z0S ATP 15.4676
61 6A9F 9BF 17.0404
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