Receptor
PDB id Resolution Class Description Source Keywords
5X3D 1.93 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HEP-CMP-BOUND FORM OF CYTIDYLYLTRANSFER (CYTASE) DOMAIN OF FOM1 FROM STREPTOMYCES WEDMORENSIS STREPTOMYCES WEDMORENSIS CYTIDYLYLTRANSFERASE NUCLEOTIDYLTRANSFERASE FOSFOMYCIN BIOSYNTHESIS TRANSFERASE
Ref.: FOSFOMYCIN BIOSYNTHESIS VIA TRANSIENT CYTIDYLYLATIO 2-HYDROXYETHYLPHOSPHONATE BY THE BIFUNCTIONAL FOM1 ACS CHEM. BIOL. V. 12 2209 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7XL A:201;
Valid;
none;
submit data
431.23 C11 H19 N3 O11 P2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5X3D 1.93 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF HEP-CMP-BOUND FORM OF CYTIDYLYLTRANSFER (CYTASE) DOMAIN OF FOM1 FROM STREPTOMYCES WEDMORENSIS STREPTOMYCES WEDMORENSIS CYTIDYLYLTRANSFERASE NUCLEOTIDYLTRANSFERASE FOSFOMYCIN BIOSYNTHESIS TRANSFERASE
Ref.: FOSFOMYCIN BIOSYNTHESIS VIA TRANSIENT CYTIDYLYLATIO 2-HYDROXYETHYLPHOSPHONATE BY THE BIFUNCTIONAL FOM1 ACS CHEM. BIOL. V. 12 2209 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 5X3D - 7XL C11 H19 N3 O11 P2 C1=CN(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 237 families.
1 5X3D - 7XL C11 H19 N3 O11 P2 C1=CN(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 187 families.
1 5X3D - 7XL C11 H19 N3 O11 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7XL; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 7XL 1 1
2 CDP 0.77027 0.944444
3 HF4 0.74026 0.944444
4 CTP 0.74026 0.944444
5 C2G 0.698795 0.985915
6 C5P 0.689189 0.930556
7 C 0.689189 0.930556
8 CAR 0.689189 0.930556
9 CDM 0.678161 0.921053
10 C5G 0.651685 0.945205
11 CDC 0.647727 0.829268
12 CXY 0.626374 0.945205
13 1AA 0.591837 0.907895
14 AR3 0.575342 0.859155
15 CTN 0.575342 0.859155
16 C C C C 0.55914 0.917808
17 I5A 0.546667 0.794521
18 C C 0.543478 0.90411
19 2AA 0.536364 0.731959
20 91P 0.518182 0.809524
21 CSV 0.514852 0.906667
22 CSQ 0.514852 0.906667
23 C3P 0.512195 0.916667
24 MCN 0.508929 0.8
25 PMT 0.504587 0.875
26 GPC 0.491379 0.8
27 FN5 0.491071 0.897436
28 16B 0.476744 0.868421
29 C2P 0.47619 0.930556
30 PCD 0.475 0.764045
31 CSF 0.474138 0.897436
32 YYY 0.466667 0.88
33 UDP 0.465909 0.888889
34 G C 0.465517 0.817073
35 DCP 0.462366 0.88
36 A C A C 0.462185 0.8375
37 U A C C 0.462185 0.825
38 URM 0.459184 0.90411
39 660 0.459184 0.90411
40 DKZ 0.457831 0.75
41 5HM 0.454545 0.932432
42 UTP 0.450549 0.888889
43 UPP 0.44898 0.864865
44 GTF 0.4375 0.855263
45 GCQ 0.43617 0.855263
46 UNP 0.43617 0.864865
47 G G G C 0.430894 0.807229
48 A G C C 0.427419 0.804878
49 DC 0.426966 0.866667
50 DCM 0.426966 0.866667
51 4TC 0.422414 0.8375
52 C5P SIA 0.421488 0.92
53 UDH 0.42 0.894737
54 A U C C 0.419847 0.8375
55 UPF 0.417476 0.844156
56 U2F 0.417476 0.844156
57 UDM 0.416667 0.891892
58 GUD 0.415842 0.890411
59 UPG 0.415842 0.890411
60 UFM 0.415842 0.890411
61 GDU 0.415842 0.890411
62 TKW 0.41573 0.917808
63 G C C C 0.414062 0.817073
64 UPU 0.412371 0.888889
65 CG2 0.408333 0.851852
66 UP5 0.405172 0.835443
67 DOC 0.404494 0.866667
68 UFG 0.403846 0.844156
69 44P 0.4 0.878378
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5X3D; Ligand: 7XL; 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: 5x3d.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5X3D; Ligand: 7XL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5x3d.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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