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Receptor
PDB id Resolution Class Description Source Keywords
5E70 2.33 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ECOLI BRANCHING ENZYME WITH GAMMA CYCLO ESCHERICHIA COLI O139:H28 (STRAIN E243ETEC) BRANCHING ENZYME CYCLODEXTRIN GLYCOGEN STARCH GLUCAN TR
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI BRANCHING EN COMPLEX WITH CYCLODEXTRINS. ACTA CRYSTALLOGR D STRUCT V. 72 641 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:803;
D:804;
B:802;
B:803;
D:803;
A:802;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
RCD A:801;
D:801;
C:801;
B:801;
D:802;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
Kd = 160 uM
1297.12 C48 H80 O40 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E70 2.33 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ECOLI BRANCHING ENZYME WITH GAMMA CYCLO ESCHERICHIA COLI O139:H28 (STRAIN E243ETEC) BRANCHING ENZYME CYCLODEXTRIN GLYCOGEN STARCH GLUCAN TR
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI BRANCHING EN COMPLEX WITH CYCLODEXTRINS. ACTA CRYSTALLOGR D STRUCT V. 72 641 2016 BIOL
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5E6Z - BCD C42 H70 O35 C([C@@H]1[....
2 5E70 Kd = 160 uM RCD C48 H80 O40 C([C@@H]1[....
3 4LPC - BGC GLC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5E6Z - BCD C42 H70 O35 C([C@@H]1[....
2 5E70 Kd = 160 uM RCD C48 H80 O40 C([C@@H]1[....
3 4LPC - BGC GLC 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 1039 families.
1 5E6Z - BCD C42 H70 O35 C([C@@H]1[....
2 5E70 Kd = 160 uM RCD C48 H80 O40 C([C@@H]1[....
3 4LPC - BGC GLC n/a n/a
4 5GQX - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RCD; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 BCD 1 1
3 GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC GLC GLC GLC 1 1
5 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
6 ACX 1 1
7 4CQ 0.529412 0.911765
8 GLC GLC GLC GLC 0.510638 0.939394
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found with APoc: 39
This union binding pocket(no: 1) in the query (biounit: 5e70.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5THQ NDP 1.83824
2 2ZYJ PGU 2.01511
3 1GQ2 NAP 2.16216
4 1ZPD DPX 2.64085
5 2ZC0 PMP 2.9484
6 1M7Y PPG 2.98851
7 3EYA TDP 3.09654
8 5WPJ NDP 3.28639
9 2GSU AMP 3.30789
10 3EUF BAU 3.35366
11 3D78 NBB 3.36134
12 1OBB NAD 3.54167
13 3WG3 A2G GAL NAG FUC 3.93258
14 5UI2 EQ3 4.10095
15 2RHW C0E 4.24028
16 3P0F BAU 4.3771
17 5I35 ANP 5.08906
18 1X9D SMD 5.39033
19 4D52 GIV 5.39683
20 4D52 GXL 5.39683
21 3F10 8HG 5.82192
22 2GJ3 FAD 5.83333
23 4M69 ANP 6.00707
24 4BG1 IVL 6.45995
25 4BG1 OGA 6.45995
26 1OMZ UD2 6.48464
27 5BO9 SIA GAL NGS 6.81115
28 1S9A BEZ 7.00389
29 3SUD SUE 7.38916
30 4EKQ NPO 7.48663
31 2Q1W NAD 7.80781
32 3APT FAD 8.3871
33 4ZDC CO8 9.66667
34 4ZFL 4NK 10.2564
35 1ELU PDA 10.5128
36 4YEE 4CQ 11.1111
37 3FAP ARD 11.7021
38 2VUT NAD 13.9535
39 5U5N NAD 18.9964
Pocket No.: 2; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found with APoc: 103
This union binding pocket(no: 2) in the query (biounit: 5e70.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1FK5 OLA None
2 3Q9T FAY 1.21317
3 3HQP OXL 1.40281
4 5KOK R9T 1.51134
5 1MI3 NAD 1.5528
6 1GUZ NAD 1.6129
7 1GV0 NAD 1.6129
8 4A6D SAM 1.69972
9 5EEH SAH 1.8617
10 5EEH P9P 1.8617
11 4IGH 1EA 1.88172
12 4IGH ORO 1.88172
13 4IGH FMN 1.88172
14 3P9C SAH 1.92308
15 2BD0 NAP 2.04918
16 3KDU NKS 2.16606
17 2G86 UMP 2.21519
18 1FP2 HMO 2.27273
19 5OLZ T4E 2.30415
20 4YNU LGC 2.45184
21 4YNU FAD 2.45184
22 1GPE FAD 2.55537
23 1AE1 NAP 2.5641
24 3RDE OYP 2.96684
25 6BQC LOP 3.13316
26 4RPO T6C 3.13901
27 1YDK GTX 3.15315
28 6H21 UD1 3.18841
29 3QCP FAD 3.40426
30 2X24 X24 3.43137
31 5O98 NAP 3.47003
32 1O0S NAI 3.47107
33 3LDW ZOL 3.53535
34 3LDW IPE 3.53535
35 5EJ2 NAD 3.57143
36 1EYQ NAR 3.6036
37 4V2O CLQ 3.65854
38 5ICE 2H4 3.69318
39 3UP3 XCA 3.7037
40 4NBT NAD 3.75
41 8CAT NDP 3.75494
42 5A89 FMN 3.84615
43 5A89 ADP 3.84615
44 2P1C GG3 3.84615
45 3OID NDP 3.87597
46 1UXG NAD 3.8835
47 1UXG FUM 3.8835
48 1LRI CLR 4.08163
49 5APK 76E 4.15094
50 4WRI OKA 4.16667
51 4US3 TRP 4.3956
52 1UVC STE 4.3956
53 4DXJ IPE 4.41989
54 2C29 NAP 4.74777
55 2RH1 CLR 4.8
56 5IXK 6EW 4.82456
57 5LX9 OLB 4.88599
58 2NU8 COA 4.89691
59 2Z9C DTC 5
60 4KCF AKM 5.06608
61 2HFU MEV 5.12048
62 1QSM ACO 5.26316
63 3T58 FAD 5.39499
64 3AY6 NAI 5.57621
65 2BHW LUX 5.60345
66 4IWN GEK 5.67686
67 3VHZ L2P GLC MAN SGA 5.72519
68 3GYT DL4 5.7377
69 1T36 U 5.75916
70 6C0B MLI 5.76923
71 5EW9 5VC 5.90406
72 2X5W K2B 5.90909
73 5TWB FAD 6.10465
74 1GEE NAD 6.13027
75 4CQM NAP 6.55738
76 5J7X FAD 6.55738
77 2XMY CDK 7.38255
78 2P4Y C03 7.94224
79 3KP6 SAL 7.94702
80 1E3W NAD 8.04598
81 1E6W NAD 8.07692
82 3FUR Z12 8.08823
83 4E70 N7I 8.24742
84 4WT2 3UD 8.57143
85 3HDY FAD 9.3199
86 3HDY GDU 9.3199
87 4OAS 2SW 9.375
88 3LLI FAD 9.96169
89 2OI2 DP6 10.6164
90 5AZC PGT 12
91 4KBY C2E 12.0773
92 2HJR APR 13.7195
93 2Y69 CHD 17.4603
94 5X8Q 82R 22.7273
95 2DYS TGL 23.4043
96 2DYR TGL 23.4043
97 5ZCO CHD 23.4043
98 5Z84 TGL 23.4043
99 5Z84 CHD 23.4043
100 5ZCO TGL 23.4043
101 5NI5 8YB 33.3333
102 6ESN BWE 41.6667
103 1K7L 544 42.8571
Pocket No.: 3; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found with APoc: 79
This union binding pocket(no: 3) in the query (biounit: 5e70.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3CV3 UDP 1.47783
2 1DNP FAD 1.4862
3 5Y24 GLY MET PRO ARG GLY ALA 1.51515
4 2QTR NXX 1.5873
5 3QVP FAD 1.71527
6 5BNS 4VM 1.89274
7 1G2N EPH 1.89394
8 4GV4 MEJ 1.96078
9 4KQL 1SG 1.97368
10 3VSV XYP 2.12418
11 1NP7 FAD 2.24949
12 1XAJ CRB 2.25989
13 4LOC BTN 2.28758
14 5LP1 71H 2.31959
15 4O08 PO6 2.49221
16 2CHG ANP 2.65487
17 3KB6 NAD 2.69461
18 6DUB SAH 2.7027
19 4B7S QLE 2.75229
20 5V3Y 5V8 2.7972
21 3MKN DNB 2.8481
22 3VC1 SAH 2.88462
23 4W97 UCA 3
24 3P0K FAD 3.00752
25 6AYI C3G 3.01508
26 1E2K TMC 3.02115
27 5V13 JH3 3.47222
28 4I6G FAD 3.51562
29 2JJK R15 3.5503
30 3WG6 NDP 3.58306
31 4E1M TQ2 3.61446
32 4E1N TQX 3.61446
33 4BNU 9KQ 3.71747
34 5L9O GOP 3.73134
35 4GFD 0YB 3.90244
36 1O5R FR9 3.93258
37 4I4B 1CV 3.97196
38 1AJQ SPA 4.30622
39 4AFH L0B 4.34783
40 5X3R 7Y3 4.39024
41 2AOT SAH 4.45205
42 5UC1 486 4.5045
43 5NWI TYR PHE SER SEP ASN 4.58015
44 4XVX P6G FDA 4.62725
45 4XVX P33 FDA 4.62725
46 4ZGS NAD 4.66321
47 5FTW SAH 4.6875
48 2C29 DQH 4.74777
49 2R5C C6P 4.8951
50 2AQX ATP 5.19031
51 1F28 UMP 5.38721
52 3H78 BE2 5.57103
53 1XVB BHL 6.47059
54 4EHU ANP 6.52174
55 4OKZ 3E9 6.57534
56 1N83 CLR 6.66667
57 4LA7 A1O 6.73575
58 2CJF RP4 7.00637
59 3VGL ANP 7.16511
60 4WVO 3UZ 7.18232
61 1Z3C SA8 7.38255
62 4ISK UMP 7.95455
63 4OIV XX9 7.9646
64 3EM0 CHD 7.97101
65 5CYV WCA 8.21918
66 3RMK BML 8.43373
67 6AYH C3G 9.45274
68 4XB4 45D 9.86842
69 2ZWA SAH 10.2941
70 2VDY HCY 10.7239
71 5ZBL AMP 10.8374
72 2XD9 XD9 11.976
73 1NHZ 486 12.5
74 3GON PMV 13.7313
75 5A4W QCT 14.1509
76 4DRJ RAP 14.2857
77 4DRI RAP 14.2857
78 5GPG RAP 19.3548
79 4K2G 1OQ 19.4118
Pocket No.: 4; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found with APoc: 11
This union binding pocket(no: 4) in the query (biounit: 5e70.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5ND5 TPP 1.96078
2 5VAD 91Y 2.13178
3 1ZBQ NAD 2.14067
4 1GZ6 NAI 2.19436
5 2UUU FAD 2.39726
6 2UUU PL3 2.39726
7 1QV1 CZH 2.5641
8 1XKQ NDP 3.21429
9 4K79 GAL A2G 3.63636
10 4O67 1SY 5.78512
11 1Y60 H4M 18.3432
Pocket No.: 5; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found with APoc: 35
This union binding pocket(no: 5) in the query (biounit: 5e70.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 6F97 FAD 1.69492
2 4G2R H1L 2.11416
3 3B2Q ATP 2.1322
4 1XAJ NAD 2.25989
5 2OAT PFM 2.2779
6 4O4K 2PK 2.38095
7 4YAG NAI 2.42215
8 1WM1 PTB 2.52366
9 1MZC FPP 2.746
10 1MZC BNE 2.746
11 1E19 ADP 3.50318
12 3GDN HBX 3.83877
13 3GDN FAD 3.83877
14 2JFZ DGL 3.92157
15 2JFZ 003 3.92157
16 2GCG NDP 4.24242
17 4AOA IK2 4.62555
18 5TTJ FAD 4.89796
19 3WCA FPS 5.47945
20 3I59 N6S 5.62249
21 5KBF CMP 5.64784
22 4D42 NAP 5.67376
23 4D42 W0I 5.67376
24 3VHZ SOG 5.72519
25 3IL6 B83 5.919
26 3AL3 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 5.95745
27 1PMO PLR 6.86695
28 1OQC FAD 7.2
29 4RC8 STE 7.65766
30 2CFC NAD 8
31 4CRZ ACO 9.09091
32 5TIV A3P 9.09091
33 3KJQ B94 9.47368
34 3KMZ EQO 13.1579
35 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 40.5172
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