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 1256 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 1068 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 922 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: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 RCD 1 1
2 ACX 1 1
3 BCD 1 1
4 4CQ 0.529412 0.911765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5e70.bio4) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 5e70.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IGH FMN 0.01428 0.46104 1.88172
2 4IGH ORO 0.01428 0.46104 1.88172
3 4IGH 1EA 0.01428 0.46104 1.88172
4 3KDU NKS 0.008942 0.44439 2.16606
5 1AE1 NAP 0.01729 0.42649 2.5641
6 3OID NDP 0.03996 0.40276 3.87597
7 1LRI CLR 0.007872 0.44 4.08163
8 4DXJ IPE 0.02992 0.41392 4.41989
9 4ZOM 4Q3 0.009723 0.46089 4.88889
10 4J36 1HR 0.04882 0.41268 5.06024
11 4KCF AKM 0.0143 0.427 5.06608
12 2BHW LUX 0.02472 0.40531 5.60345
13 2XMY CDK 0.02286 0.44892 7.38255
14 2DYR TGL 0.01852 0.42441 23.4043
Pocket No.: 3; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found: 10
This union binding pocket(no: 3) in the query (biounit: 5e70.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GV4 MEJ 0.01062 0.41707 1.96078
2 1NP7 FAD 0.0461 0.40497 2.24949
3 5V3Y 5V8 0.01837 0.41619 2.7972
4 5V13 JH3 0.03218 0.40433 3.47222
5 4ZGS NAD 0.01325 0.41276 4.66321
6 2R5C C6P 0.03061 0.40257 4.8951
7 4OKZ 3E9 0.0146 0.4092 6.57534
8 4XB4 45D 0.009718 0.42446 9.86842
9 3FAP ARD 0.01025 0.42057 11.7021
10 3GON PMV 0.003192 0.43284 13.7313
Pocket No.: 4; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 5e70.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2UUU PL3 0.0352 0.4051 2.39726
2 2UUU FAD 0.0352 0.4051 2.39726
Pocket No.: 5; Query (leader) PDB : 5E70; Ligand: RCD; Similar sites found: 8
This union binding pocket(no: 5) in the query (biounit: 5e70.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GDN FAD 0.03938 0.4115 3.83877
2 3GDN HBX 0.04801 0.4115 3.83877
3 2JFZ DGL 0.0234 0.44708 3.92157
4 2JFZ 003 0.0234 0.44708 3.92157
5 3WCA FPS 0.04475 0.40117 5.47945
6 4D42 NAP 0.03233 0.4028 5.67376
7 4D42 W0I 0.03233 0.4028 5.67376
8 4RC8 STE 0.01372 0.40262 7.65766
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