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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 1443 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 1205 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 1039 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 with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 1o4t.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3VHH VHH None
2 2F01 BTN None
3 2F01 BTQ None
4 4BCS BTN None
5 1SWG BTN None
6 2C1Q BTN None
7 5ML3 DL3 1.50376
8 3STK PLM 1.51515
9 3GM5 CIT 2.25564
10 3G08 FEE 2.25564
11 2WPU KYT 2.25564
12 4D52 GXL 3.00752
13 4D52 GIV 3.00752
14 3OTX AP5 3.00752
15 4D4U FUC GAL NAG 3.00752
16 2E27 AB0 3.36134
17 5C2H 4PX 3.7594
18 5KBZ 3B2 3.7594
19 5A3T MMK 3.7594
20 4QN7 G39 3.84615
21 6EOZ AKG 4.51128
22 6EOZ 58K 4.51128
23 1QY1 PRZ 4.51128
24 4BJ8 BTN 4.7619
25 5B09 4MX 4.80769
26 5Y4K AKR 5.26316
27 2F2U M77 5.26316
28 4BX7 B4F 5.46875
29 4OH4 ANP 6.01504
30 5I0U DCY 6.01504
31 1YBU APC 6.01504
32 4HSJ 6PC 6.01504
33 5FP4 YC8 6.76692
34 1UZD CAP 6.76692
35 2V67 CAP 6.76692
36 2V63 CAP 6.76692
37 2V6A CAP 6.76692
38 1UZH CAP 6.76692
39 1ST0 GTG 6.76692
40 1KDK DHT 6.77966
41 1MDC PLM 6.81818
42 4GGZ BTN 6.95652
43 1GQG DCD 7.5188
44 3TGE TGE 8.27068
45 2GMH FAD 8.27068
46 5N9Z CAP 8.27068
47 5F3I 5UJ 9.02256
48 6BVE PGA 9.02256
49 2ZSC BTN 9.77444
50 1EYE PMM 11.2782
51 5JM8 ATP 11.2782
52 2Z93 END 11.2782
53 3P5P A3C 12.0301
54 1P7T ACO 12.0301
55 5C1P DAL DAL 12.0301
56 4XDA ADP 12.782
57 4XDA RIB 12.782
58 1XON PIL 14.0401
59 4E90 7RG 14.2857
60 1R6W 164 14.2857
61 2VEG PMM 15.0376
62 3WW2 SF6 15.0376
63 2GC0 PAN 18.0451
64 3KDN CAP 18.0451
65 1J3R 6PG 18.797
66 5X7Q GLC GLC GLC BGC 18.797
67 5FLJ QUE 19.5489
68 5K8B PDG 24.0602
69 5TFZ 7BC 27.0677
Pocket No.: 2; Query (leader) PDB : 1O4T; Ligand: OXL; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 1o4t.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2UZ2 BTN None
2 3D78 NBB None
3 2JAP J01 1.50376
4 2CFC NAD 2.25564
5 3HQR OGA 3.00752
6 2J07 FAD 3.7594
7 2J07 HDF 3.7594
8 3RI1 3RH 3.7594
9 5EPO NAP 3.7594
10 2FR3 REA 4.51128
11 1NE6 SP1 4.51128
12 3LOO B4P 5.26316
13 1SQ5 PAU 6.01504
14 1DRY AKG 6.01504
15 1DRY AAG 6.01504
16 2VDH CAP 6.76692
17 1OFZ FUL 6.76692
18 1OFZ FUC 6.76692
19 3L5R 47X 8.19672
20 1RKD ADP 8.27068
21 1RKD RIB 8.27068
22 3GWT 066 8.27068
23 4JD3 PLM 8.27068
24 4JD3 COA 8.27068
25 5Y72 DST 9.02256
26 2ARC ARA 11.2782
27 4RLQ 3SK 12.0301
28 1EB9 HBA 13.5338
29 5OO5 UUA 13.7097
30 6GBX S77 16.5414
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