Receptor
PDB id Resolution Class Description Source Keywords
1O4T 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A PREDICTED OXALATE DECARBOXYLASE (TM12 THERMOTOGA MARITIMA AT 1.95 A RESOLUTION THERMOTOGA MARITIMA DOUBLE-STRANDED BETA-HELIX FOLD STRUCTURAL GENOMICS JOINT FOR STRUCTURAL GENOMICS JCSG PROTEIN STRUCTURE INITIATIVELYASE
Ref.: CRYSTAL STRUCTURE OF A PUTATIVE OXALATE DECARBOXYLA (TM1287) FROM THERMOTOGA MARITIMA AT 1.95 A RESOLUT PROTEINS V. 56 392 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:300;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
OXL A:400;
B:401;
Valid;
Valid;
none;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O4T 1.95 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A PREDICTED OXALATE DECARBOXYLASE (TM12 THERMOTOGA MARITIMA AT 1.95 A RESOLUTION THERMOTOGA MARITIMA DOUBLE-STRANDED BETA-HELIX FOLD STRUCTURAL GENOMICS JOINT FOR STRUCTURAL GENOMICS JCSG PROTEIN STRUCTURE INITIATIVELYASE
Ref.: CRYSTAL STRUCTURE OF A PUTATIVE OXALATE DECARBOXYLA (TM1287) FROM THERMOTOGA MARITIMA AT 1.95 A RESOLUT PROTEINS V. 56 392 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1O4T - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1O4T - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1O4T - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O4T; Ligand: OXL; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 1o4t.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3VHH VHH 0.01102 0.45092 None
2 4BCS BTN 0.008779 0.41271 None
3 5ML3 DL3 0.01509 0.421 1.50376
4 3GM5 CIT 0.002281 0.41655 2.25564
5 3G08 FEE 0.02469 0.41009 2.25564
6 3OTX AP5 0.02911 0.40875 3.00752
7 5C2H 4PX 0.005964 0.45895 3.7594
8 5KBZ 3B2 0.01534 0.42471 3.7594
9 5A3T MMK 0.01829 0.41179 3.7594
10 1QY1 PRZ 0.00528 0.41365 4.51128
11 4BJ8 BTN 0.009434 0.40415 4.7619
12 4BX7 B4F 0.01108 0.40542 5.46875
13 5IVE 6E8 0.02323 0.41221 6.01504
14 5I0U DCY 0.0101 0.40874 6.01504
15 1YBU APC 0.01986 0.40567 6.01504
16 1UZD CAP 0.01269 0.41502 6.76692
17 1MDC PLM 0.03663 0.40302 6.81818
18 1GQG DCD 0.001154 0.46123 7.5188
19 5F3I 5UJ 0.01859 0.43536 9.02256
20 2ZSC BTN 0.01245 0.40213 9.77444
21 5JM8 ATP 0.01325 0.42586 11.2782
22 2Z93 END 0.03723 0.40213 11.2782
23 5C1P DAL DAL 0.01672 0.40015 12.0301
24 4XDA ADP 0.00883 0.42584 12.782
25 4XDA RIB 0.00883 0.42584 12.782
26 1XON PIL 0.004053 0.45851 14.0401
27 4E90 7RG 0.01232 0.42396 14.2857
28 1R6W 164 0.01712 0.40243 14.2857
29 2VEG PMM 0.01379 0.41362 15.0376
30 3KDN CAP 0.0215 0.42467 18.0451
31 1J3R 6PG 0.0004424 0.4955 18.797
32 5X7Q GLC GLC GLC BGC 0.01371 0.40625 18.797
33 5FLJ QUE 0.0001316 0.53172 19.5489
Pocket No.: 2; Query (leader) PDB : 1O4T; Ligand: OXL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1o4t.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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