Receptor
PDB id Resolution Class Description Source Keywords
1TJ5 2.2 Å EC: 3.1.3.24 X-RAY STRUCTURE OF THE SUCROSE-PHOSPHATASE (SPP) FROM SYNECH SP. PCC6803 IN COMPLEX WITH SUCROSE AND PHOSPHATE SYNECHOCYSTIS SP. PCC 6803 PHOSPHOHYDROLASE HAD SUPERFAMILY SUCROSE CYANOBACTERIA H
Ref.: THE STRUCTURE OF A CYANOBACTERIAL SUCROSE-PHOSPHATA REVEALS THE SUGAR TONGS THAT RELEASE FREE SUCROSE I CELL. PLANT CELL V. 17 2049 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:247;
A:248;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
PO4 A:246;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
GLC FRU B:1;
 Valid;
 none;
 submit data
340.281 n/a O=CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B1Q 2.2 Å EC: 3.1.3.24 X-RAY STRUCTURE OF THE SUCROSE-PHOSPHATASE (SPP) FROM SYNECH SP.PCC6803 IN COMPLEX WITH TREHALOSE SYNECHOCYSTIS SP. PHOSPHOHYDROLASE HAD SUPERFAMILY TREHALOSE CYANOBACTERIAHYDROLASE
Ref.: CRYSTAL STRUCTURE OF A CYANOBACTERIAL SUCROSE-PHOSP COMPLEX WITH GLUCOSE-CONTAINING DISACCHARIDES PROTEINS V. 68 796 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2D2V Ki = 100 mM GLC GLC n/a n/a
2 2B1Q Ki = 26 mM GLC GLC n/a n/a
3 1TJ5 - GLC FRU n/a n/a
4 2B1R Ki = 101 mM BGC BGC n/a n/a
5 1U2S - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2D2V Ki = 100 mM GLC GLC n/a n/a
2 2B1Q Ki = 26 mM GLC GLC n/a n/a
3 1TJ5 - GLC FRU n/a n/a
4 2B1R Ki = 101 mM BGC BGC n/a n/a
5 1U2S - GLC C6 H12 O6 C([C@@H]1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2D2V Ki = 100 mM GLC GLC n/a n/a
2 2B1Q Ki = 26 mM GLC GLC n/a n/a
3 1TJ5 - GLC FRU n/a n/a
4 2B1R Ki = 101 mM BGC BGC n/a n/a
5 1U2S - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 GLC FRU GLA 0.761905 0.972973
3 FRU GLC GLA 0.5 0.921053
4 GLC FRU GLA GLA GLA 0.492958 0.921053
5 GLC FRU GLA GLA 0.492958 0.921053
6 GLC FRU FRU FRU 0.492958 0.921053
7 ZEE UEA FRU FRU FRU 0.492958 0.921053
8 GLC FRU FRU 0.457143 0.921053
9 ARA TT7 4GL 0.445783 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC FRU; Similar ligands found: 23
No: Ligand Similarity coefficient
1 GLC Z9N 0.9697
2 MAN MAN 0.9233
3 FRU FRU 0.9109
4 MMA MAN 0.9053
5 RRY RRJ 0.9023
6 BDF GLC 0.9009
7 FRU GLC 0.8988
8 TW7 GLC 0.8931
9 GLC GLC 0.8902
10 GLA GLC 0.8842
11 ADA AQA 0.8838
12 GLC IFM 0.8831
13 4UO 0.8776
14 GLC 7LQ 0.8767
15 GAL GLA 0.8744
16 ADA ADA 0.8733
17 GLC DMJ 0.8705
18 B1T 0.8679
19 9E3 0.8670
20 GLA GLA 0.8647
21 RR7 GLC 0.8636
22 4P8 0.8619
23 CQW 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2B1Q; 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: 1) in the query (biounit: 2b1q.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback