-->
Receptor
PDB id Resolution Class Description Source Keywords
1J0Y 2.1 Å EC: 3.2.1.2 BETA-AMYLASE FROM BACILLUS CEREUS VAR. MYCOIDES IN COMPLEX WITH GLUCOSE BACILLUS CEREUS HYDROLASE BETA-AMYLASE RAW-STARCH BINDING DOMAIN
Ref.: CRYSTAL STRUCTURES OF BETA-AMYLASE FROM BACILLUS CEREUS VAR. MYCOIDES IN COMPLEXES WITH SUBSTRATE ANALOGS AND AFFINITY-LABELING REAGENTS J.BIOCHEM.(TOKYO) V. 133 467 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:1601;
B:2601;
C:3601;
D:4601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
CA A:701;
B:701;
C:701;
D:701;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VEM 1.85 Å EC: 3.2.1.2 CRYSTAL STRUCTURE ANALYSIS OF BACILLUS CEREUS BETA-AMYLASE AT THE OPTIMUM PH (6.5) BACILLUS CEREUS BETA-ALPHA-BARRELS OPTIMUM PH HYDROLASE
Ref.: ENGINEERING OF THE PH OPTIMUM OF BACILLUS CEREUS BETA-AMYLASE: CONVERSION OF THE PH OPTIMUM FROM A BACTERIAL TYPE TO A HIGHER-PLANT TYPE BIOCHEMISTRY V. 43 12523 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1VEN - GLC C6 H12 O6 C([C@@H]1[....
2 1J18 - GLC BGC n/a n/a
3 1ITC - GLC GLC n/a n/a
4 1VEP - GLC BGC n/a n/a
5 1VEM - GLC GLC n/a n/a
6 1B9Z - MAL C12 H22 O11 C([C@@H]1[....
7 1J0Z - GLC BGC n/a n/a
8 1J10 - GLC GLC XYP n/a n/a
9 1J0Y - BGC C6 H12 O6 C([C@@H]1[....
10 1VEO - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VEN - GLC C6 H12 O6 C([C@@H]1[....
2 1J18 - GLC BGC n/a n/a
3 1ITC - GLC GLC n/a n/a
4 1VEP - GLC BGC n/a n/a
5 1VEM - GLC GLC n/a n/a
6 1B9Z - MAL C12 H22 O11 C([C@@H]1[....
7 1J0Z - GLC BGC n/a n/a
8 1J10 - GLC GLC XYP n/a n/a
9 1J0Y - BGC C6 H12 O6 C([C@@H]1[....
10 1VEO - GLC C6 H12 O6 C([C@@H]1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VEN - GLC C6 H12 O6 C([C@@H]1[....
2 1J18 - GLC BGC n/a n/a
3 1ITC - GLC GLC n/a n/a
4 1VEP - GLC BGC n/a n/a
5 1VEM - GLC GLC n/a n/a
6 1B9Z - MAL C12 H22 O11 C([C@@H]1[....
7 1J0Z - GLC BGC n/a n/a
8 1J10 - GLC GLC XYP n/a n/a
9 1J0Y - BGC C6 H12 O6 C([C@@H]1[....
10 1VEO - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found with APoc: 81
This union binding pocket(no: 1) in the query (biounit: 1vem.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2J4D MHF 1.35659
2 4N69 SER 1.3986
3 1M21 PHE CSI LEU PHA 1.59046
4 3CV2 OXL 1.74419
5 5M42 FMN 1.79211
6 3QH2 3NM 1.80995
7 4IP7 FLC 1.93798
8 3S5Y DGJ 2.01005
9 5JU6 BGC 2.13178
10 5VRH PLM 2.13178
11 3I9U DTU 2.28137
12 4WCX ALA 2.29167
13 5DXT 5H5 2.32558
14 6C4A PYR 2.48869
15 4M51 BEZ 2.57611
16 3KN5 ANP 2.76923
17 5O0J GLC 2.86976
18 1BYG STU 2.8777
19 4CJN QNZ 2.90698
20 2FVK DUC 2.90698
21 1O68 KIV 2.90909
22 4YMJ 4EJ 2.96053
23 4BCQ TJF 3.05344
24 2F62 12M 3.10559
25 2F67 12B 3.10559
26 2F2T 5IQ 3.10559
27 1WW5 SGA BGC 3.125
28 3AB4 THR 3.37079
29 4ZJS 4P0 3.47826
30 5HVJ ANP 3.49206
31 3HMO STU 3.50877
32 4TX6 38B 3.54839
33 1S68 AMP 3.61446
34 4JWK CTN 3.62694
35 2HJR CIT 3.65854
36 4Z28 BTN 3.73134
37 5TH5 MET 3.80228
38 3H55 GLA 4
39 1NSZ GLC 4.03458
40 2O4J VD4 4.10959
41 2QK4 ATP 4.20354
42 3FSY SCA 4.21687
43 4NZF ARB 4.46429
44 2F2U M77 4.47761
45 6HDT BTN 4.51128
46 1O9U ADZ 4.57143
47 1UA4 BGC 4.61538
48 1UA4 GLC 4.61538
49 1GQ2 OXL 4.65116
50 2MPR BGC GLC GLC 4.68384
51 5E9G GLV 4.84496
52 3BY9 SIN 5
53 3H22 B53 5.72391
54 4AIA ADK 5.85106
55 3R1Z ALA DGL 6.0686
56 5DZT AMP 6.39535
57 1OYF MHN 6.61157
58 3ZDS OMD 6.69746
59 3ZDS HQ9 6.69746
60 4L9Z OXL 6.78466
61 1SO0 GAL 7.26744
62 1J3R 6PG 7.36842
63 4USS GSH 7.38462
64 1Y7P RIP 8.52018
65 2VN9 GVD 8.63787
66 4JNJ BTN 8.69565
67 6EYT NDG 9.17431
68 1FDJ 2FP 9.64187
69 1VKF CIT 10.6383
70 5V8E CIT 11.0032
71 5DYO FLU 11.7925
72 1M3U KPL 12.1212
73 3KL3 GCU 12.2195
74 2GBB CIT 12.8205
75 4QAG F95 15.0376
76 3EW2 BTN 17.7778
77 4UAA 3GK 21.673
78 4UA7 3GK 21.673
79 4DDS 0J7 21.673
80 6BU3 3GK 21.7557
81 1UYY BGC BGC 22.9008
Pocket No.: 2; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found with APoc: 73
This union binding pocket(no: 2) in the query (biounit: 1vem.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1DJN ADP 1.55039
2 3X0V FAD 1.93798
3 1ZVW PRP 2.1164
4 1LDN NAD 2.21519
5 3VPH NAD 2.25806
6 3VPH OXM 2.25806
7 2IVD FAD 2.30126
8 1E3I CXF 2.39362
9 5IVE 6E8 2.42424
10 3BK2 U5P 2.51938
11 1LVL NAD 2.62009
12 2RGJ FAD 2.73632
13 3AB1 FAD 2.77778
14 1LTH NAD 2.82132
15 3A4V NAD 2.83912
16 3A4V PYR 2.83912
17 3GGO NAI 2.86624
18 2VHW NAI 2.91777
19 3ABI NAD 3.0137
20 3IAA TYD 3.125
21 5YU3 PRO 3.19767
22 5YU3 NAD 3.19767
23 5KKA 6V0 3.52564
24 3KJD 78P 3.53261
25 3ITJ FAD 3.5503
26 2HJR APR 3.65854
27 1GPM AMP 3.68217
28 2RGO FAD 3.87597
29 5J6A P46 4
30 4PLT NAI 4.22961
31 4PLT OXM 4.22961
32 4CS9 AMP 4.2328
33 2ZWS PLM 4.26357
34 5ZCT ANP 4.57516
35 3GST GPR 4.60829
36 5JE8 NAD 4.63576
37 4O9S 2RY 4.65116
38 4PLG OXM 4.79042
39 4PLG NAI 4.79042
40 1MV8 NAD 4.81651
41 1PZG A3D 4.83384
42 1RM6 PCD 4.93827
43 3HRD MCN 5.06757
44 1X7D ORN 5.14286
45 1X7D NAD 5.14286
46 2ZE3 AKG 5.45455
47 1T26 NAI 5.59006
48 1T26 GBD 5.59006
49 5YLF BGC 5.68862
50 5ZZ6 NAD 5.76923
51 4OJP MAL 6.20155
52 1T3Q MCN 6.20155
53 5G3N X28 6.29921
54 5Y1G NAD 6.40244
55 5Y1G AKB 6.40244
56 5TVJ COA 6.63507
57 5TVJ 7LF 6.63507
58 6F5W KG1 6.77507
59 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 6.86567
60 2GAG NAD 7.07071
61 2YVJ NAI 7.33945
62 2QXX TTP 7.36842
63 2A92 NAI 7.47664
64 2Y6Q I7T 7.53769
65 5JBE MAL 7.75194
66 1SOW NAD 8.53659
67 1OBV FMN 8.87574
68 1O94 ADP 10.9375
69 6CI9 F3V 12.7413
70 2BVN ENX 12.9771
71 5K4W THR 15.5763
72 5K4W NAI 15.5763
73 3KP6 SAL 25.8278
Pocket No.: 3; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1vem.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1VEM; Ligand: GLC GLC; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 1vem.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 4L2I NAD 5.70342
2 5Y02 MXN 8.41121
3 5Y02 HBX 8.41121
4 1Z0N BCD 9.375
5 4YEF 4CQ 10.1124
APoc FAQ
Feedback