Receptor
PDB id Resolution Class Description Source Keywords
3VM7 2.25 Å EC: 3.-.-.- STRUCTURE OF AN ALPHA-AMYLASE FROM MALBRANCHEA CINNAMOMEA MALBRANCHEA CINNAMOMEA MALBRANCHEA CINNAMOMEA C -AMYLASE CMODELS PROTEIN CONFORMATHYDROLASE
Ref.: A NOVEL MULTIFUNCTIONAL ALPHA-AMYLASE FROM THE THER FUNGUS MALBRANCHEA CINNAMOMEA: BIOCHEMICAL CHARACTE AND THREE-DIMENSIONAL STRUCTURE. APPL BIOCHEM BIOTECHNOL. V. 170 420 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
TRS A:504;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
GLC A:503;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
NAG A:502;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VM7 2.25 Å EC: 3.-.-.- STRUCTURE OF AN ALPHA-AMYLASE FROM MALBRANCHEA CINNAMOMEA MALBRANCHEA CINNAMOMEA MALBRANCHEA CINNAMOMEA C -AMYLASE CMODELS PROTEIN CONFORMATHYDROLASE
Ref.: A NOVEL MULTIFUNCTIONAL ALPHA-AMYLASE FROM THE THER FUNGUS MALBRANCHEA CINNAMOMEA: BIOCHEMICAL CHARACTE AND THREE-DIMENSIONAL STRUCTURE. APPL BIOCHEM BIOTECHNOL. V. 170 420 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3VM7 - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3VM7 - GLC C6 H12 O6 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 10 families.
1 3VM7 - GLC C6 H12 O6 C([C@@H]1[....
2 7TAA - ABC C37 H63 N O26 C[C@@H]1[C....
3 2GVY - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VM7; Ligand: GLC; Similar sites found: 154
This union binding pocket(no: 1) in the query (biounit: 3vm7.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NCN GTP 0.01221 0.42869 1.31291
2 4TMZ GSP 0.01463 0.41817 1.73913
3 4ZKD GDP 0.04755 0.40194 1.82927
4 1SKQ GDP 0.02115 0.40318 1.83908
5 1PK8 ATP 0.0329 0.40234 1.89573
6 1ZCB GDP 0.008962 0.42807 1.9337
7 1B57 PGH 0.01231 0.40949 1.95531
8 4A8H PUW 0.01572 0.41697 1.97183
9 1AZT GSP 0.01788 0.41121 1.99005
10 3PT9 SAH 0.01058 0.40427 2.03252
11 4A0M NAD 0.03067 0.40215 2.03252
12 4A8T PAO 0.0237 0.40342 2.0649
13 1Z06 GNP 0.02339 0.4092 2.1164
14 5CK5 GDP 0.004277 0.43521 2.21519
15 3E5H GNP 0.01377 0.42716 2.24719
16 3WY9 GDP 0.01861 0.40165 2.30415
17 2VK4 TPP 0.02481 0.4126 2.43902
18 3AB3 GDP 0.01839 0.40992 2.43902
19 5FG3 GDP 0.01552 0.40456 2.43902
20 1BH2 GSP 0.0023 0.46177 2.53968
21 1OIX GDP 0.01039 0.43667 2.6178
22 1OIV GDP 0.01238 0.43241 2.6178
23 4ASE AV9 0.04912 0.40428 2.83286
24 4S3R 7SA 0.007095 0.45673 2.84553
25 1Z0A GDP 0.01557 0.40745 2.87356
26 3ITJ FAD 0.008689 0.45205 2.95858
27 2EW1 GNP 0.0137 0.42816 2.98507
28 1D5C GDP 0.00979 0.42828 3.08642
29 1YZN GNP 0.01162 0.43909 3.24324
30 5SZH GNP 0.01925 0.4178 3.26797
31 3SFV GDP 0.01695 0.41268 3.31492
32 4A2B AGS 0.005133 0.43085 3.34129
33 4A2A ATP 0.006386 0.41775 3.34129
34 3NKV GNP 0.01245 0.43238 3.42857
35 2F9L GDP 0.02263 0.40438 3.51759
36 3GJX GTP 0.01554 0.41367 3.56164
37 1U8Z GDP 0.00806 0.44123 3.57143
38 2CJW GDP 0.01041 0.41197 3.64583
39 3RWO GDP 0.02053 0.41576 3.78378
40 4NON GDP 0.02224 0.41881 3.84615
41 2Q1H AS4 0.02615 0.4025 3.86179
42 1N2X SAM 0.02302 0.41524 3.98671
43 3ZFD ANP 0.003132 0.43703 3.9886
44 2HT6 GDP 0.01971 0.40054 4.02299
45 2A9K GDP 0.00692 0.4451 4.03587
46 4JB0 ENO 0.0243 0.4025 4.05405
47 3TKL GTP 0.01996 0.41407 4.11985
48 1PZX PLM 0.03634 0.40103 4.15225
49 2X77 GDP 0.003977 0.44024 4.2328
50 2RCN GDP 0.01441 0.40387 4.46927
51 3KLL MAL 0.00002183 0.6061 4.47154
52 1W4R TTP 0.02154 0.4122 4.61538
53 2FFQ GSP 0.01293 0.43147 4.67836
54 1YZQ GNP 0.008838 0.44727 4.70588
55 1R2Q GNP 0.02131 0.42491 4.70588
56 1YVD GNP 0.01595 0.42292 4.73373
57 3MJH GTP 0.01234 0.43077 4.7619
58 5EOU ATP 0.01315 0.41476 4.83871
59 4TVD BGC 0.001273 0.40852 4.87805
60 1M2O GNP 0.008517 0.42626 5.0813
61 5WDR GNP 0.01018 0.4393 5.26316
62 5UQW GDP 0.0216 0.41787 5.29101
63 4DSU GDP 0.02129 0.41582 5.29101
64 5TB5 GDP 0.01124 0.41694 5.40541
65 3T5G GDP 0.01853 0.40483 5.52486
66 1RM4 NDP 0.0299 0.40591 5.63798
67 1SVK ALF GDP 0.003156 0.45583 5.66572
68 1YRB GDP 0.007925 0.42508 5.72519
69 4D0G GTP 0.01551 0.41964 5.7971
70 1VG8 GNP 0.0201 0.41849 5.7971
71 1VG0 GDP 0.01232 0.41613 5.7971
72 4K81 GTP 0.009521 0.43942 5.84795
73 5XCO GDP 0.007327 0.43377 5.84795
74 2BME GNP 0.01213 0.4411 5.91398
75 3KUD GDP 0.01391 0.42174 6.0241
76 1Y3A GDP 0.002046 0.46081 6.07903
77 4LXQ TYD 0.04079 0.40595 6.20438
78 4LXQ FON 0.04079 0.40595 6.20438
79 4LX0 BEF GDP 0.01112 0.4371 6.21469
80 1TU3 GNP 0.01567 0.41953 6.32911
81 3CPJ GDP 0.003448 0.45487 6.43016
82 1VG9 GDP 0.01333 0.40688 6.48649
83 3Q72 GNP 0.01157 0.40635 6.62651
84 1PUJ GNP 0.02203 0.40246 6.73759
85 2BCG GDP 0.01183 0.42407 6.79612
86 3WYF GTP 0.01339 0.4229 6.84932
87 5IQD RIO 0.04605 0.41249 6.88525
88 2UZI GTP 0.01025 0.43807 7.01754
89 1ZC3 GNP 0.009836 0.44645 7.07965
90 1F6B GDP 0.006861 0.42403 7.57576
91 4KVG GTP 0.008393 0.44442 7.7381
92 4GFD 0YB 0.032 0.4098 7.80488
93 1PZO CBT 0.03659 0.40331 7.98479
94 1UAD GNP 0.0103 0.43919 8.08081
95 1JG9 GLC 0.002247 0.47898 8.13008
96 3WYG GTP 0.01338 0.41869 8.24176
97 4C4P GNP 0.01244 0.43314 8.41121
98 3M1I GTP 0.01235 0.42589 8.90052
99 1MI3 NAD 0.04719 0.40382 9.00621
100 3TNF GNP 0.01883 0.42019 9.1954
101 3UER BTU 0.003608 0.42488 9.7561
102 1Z0K GTP 0.00958 0.43647 10.1449
103 2C5L GTP 0.01078 0.4383 11.1111
104 1Z0F GDP 0.01048 0.41407 11.1732
105 2ODE ALF GDP 0.00255 0.46767 11.3475
106 2FHF GLC GLC GLC GLC 0.0101 0.42506 11.7886
107 5UWI GNP 0.009469 0.43582 11.8881
108 5UWP GNP 0.0108 0.43277 11.8881
109 1FQJ GDP 0.001398 0.48272 11.9048
110 4HAT GNP 0.0105 0.43463 12.1429
111 2EFE GNH 0.009901 0.42237 12.3596
112 2A5F GTP 0.01554 0.41049 12.4352
113 2FH5 GTP 0.01405 0.42438 14.0187
114 1PIG AGL GLC HMC AGL GLC BGC 0.0000005522 0.68188 14.6341
115 4W93 3L9 0.000002375 0.64936 14.6341
116 1S8F GDP 0.01741 0.42367 14.6893
117 1Z08 GNP 0.009614 0.43709 14.7059
118 1WA5 GTP 0.00848 0.43972 14.8374
119 3DDC GNP 0.0106 0.43997 15.0602
120 1G94 DAF GLC DAF GLC GLC 0.0000002002 0.69722 15.4018
121 4U31 MVP 0.006227 0.4299 16.2602
122 1Z0J GTP 0.02254 0.41284 16.9492
123 2QTV GNP 0.01081 0.41877 18.3673
124 3BC1 GNP 0.01661 0.42804 18.6441
125 1UA7 ACI GLD GLC ACI G6D BGC 0.00000007136 0.40603 22.0379
126 2D3N GLC GLC GLC GLC GLC GLC 0.0000001667 0.7461 23.299
127 2D3N GLC 0.0000001453 0.7461 23.299
128 2D3N GLC GLC GLC GLC 0.0000001895 0.7461 23.299
129 2GJP BGC GLC DAF GLC GLC GLC DAF 0.000002798 0.67859 24.9485
130 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.000002055 0.65221 26.0163
131 5UWT GNP 0.00909 0.43545 26.087
132 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.000000562 0.69788 26.7081
133 4HDQ GNP 0.008809 0.44656 28.1437
134 4HDO GNP 0.009829 0.44214 28.1437
135 3CX8 GSP 0.02501 0.41267 28.5714
136 2PWG CTS 0.01117 0.40715 29.2683
137 4HPH SUC 0.005439 0.41799 30.2846
138 2ZID GLC GLC GLC 0.01841 0.40671 30.4878
139 1LWJ ACG 0.000004513 0.59986 31.746
140 2CXG GLC G6D ACI GLC 0.0000001259 0.73074 33.9431
141 8CGT TM6 0.0000008018 0.65994 33.9431
142 1UH4 GLC GLC GLC 0.0001227 0.5175 33.9431
143 3EDF CE6 0.00002962 0.55481 34.1463
144 3EDF ACX 0.00002701 0.55481 34.1463
145 1UKQ GLC ACI G6D GLC 0.0000008845 0.67121 34.9594
146 3BMW GLC GLC G6D ACI GLC GLC GLC 0.00000004568 0.72691 35.3659
147 1JDC GLC GLC GLC GLC 0.0004108 0.51523 37.9953
148 4M56 GLO 0.01042 0.40978 38.8211
149 1J0I GLC GLC GLC 0.01109 0.42544 39.0244
150 1VB9 GLC GLC GLC GLC GLC GLC 0.001181 0.4771 40.0406
151 5UWR GNP 0.01023 0.433 40.7407
152 4E2O ACI G6D GLC ACI G6D BGC 0.00000003302 0.45689 41.4097
153 1QHO ABD 0.0000000353 0.75966 44.3089
154 5A2B MAL 0.003213 0.4607 44.3089
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