Receptor
PDB id Resolution Class Description Source Keywords
1FEE 1.8 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF COPPER-HAH1 HOMO SAPIENS BETA-ALPHA-BETA-BETA-ALPHA-BETA TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS FOR COPPER TRANSFER BY THE METALLO FOR THE MENKES/WILSON DISEASE PROTEINS. NAT.STRUCT.BIOL. V. 7 766 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU1 A:173;
 Part of Protein;
 none;
 submit data
63.546 Cu [Cu+]
SO4 A:174;
B:175;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
GLC FRU C: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
4YDX 1.6 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF CISPLATIN BOUND TO A HUMAN COPPER CHAPE (MONOMER) - NEW REFINEMENT HOMO SAPIENS RE-REFINEMENT OF 3IWL CISPLATIN PLATINUM METAL-BINDING MTRANSPORT
Ref.: CRYSTALLOGRAPHY AND CHEMISTRY SHOULD ALWAYS GO TOGE CAUTIONARY TALE OF PROTEIN COMPLEXES WITH CISPLATIN CARBOPLATIN. ACTA CRYSTALLOGR.,SECT.D V. 71 1965 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1FEE - GLC FRU n/a n/a
2 4YDX - TCE C9 H15 O6 P C(CP(CCC(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1FEE - GLC FRU n/a n/a
2 4YDX - TCE C9 H15 O6 P C(CP(CCC(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 1FEE - GLC FRU n/a n/a
2 4YDX - TCE C9 H15 O6 P C(CP(CCC(=....
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 : 4YDX; Ligand: TCE; 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: 4ydx.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback