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 236 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 211 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 166 families.
1 5X3D - 7XL C11 H19 N3 O11 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7XL; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 7XL 1 1
2 CDP 0.77027 0.944444
3 CTP 0.74026 0.944444
4 C2G 0.698795 0.985915
5 C5P 0.689189 0.930556
6 C 0.689189 0.930556
7 CAR 0.689189 0.930556
8 CDM 0.678161 0.921053
9 C5G 0.651685 0.945205
10 CDC 0.647727 0.829268
11 CDP MG 0.62963 0.88
12 CXY 0.626374 0.945205
13 1AA 0.591837 0.907895
14 CTN 0.575342 0.859155
15 AR3 0.575342 0.859155
16 I5A 0.546667 0.794521
17 C C 0.543478 0.90411
18 2AA 0.536364 0.731959
19 91P 0.518182 0.809524
20 CSV 0.514852 0.906667
21 CSQ 0.514852 0.906667
22 C3P 0.512195 0.916667
23 MCN 0.508929 0.8
24 PMT 0.504587 0.875
25 GPC 0.491379 0.8
26 FN5 0.491071 0.897436
27 16B 0.476744 0.868421
28 C2P 0.47619 0.930556
29 PCD 0.475 0.764045
30 CSF 0.474138 0.897436
31 YYY 0.466667 0.88
32 UDP 0.465909 0.888889
33 G C 0.465517 0.817073
34 DCP 0.462366 0.88
35 U A C C 0.462185 0.825
36 660 0.459184 0.90411
37 URM 0.459184 0.90411
38 DKZ 0.457831 0.75
39 5HM 0.454545 0.932432
40 UTP 0.450549 0.888889
41 UPP 0.44898 0.864865
42 UNP 0.43617 0.864865
43 GCQ 0.43617 0.855263
44 G G G C 0.430894 0.807229
45 A G C C 0.427419 0.804878
46 DC 0.426966 0.866667
47 DCM 0.426966 0.866667
48 4TC 0.422414 0.8375
49 C5P SIA 0.421488 0.92
50 UDH 0.42 0.894737
51 A U C C 0.419847 0.8375
52 UPF 0.417476 0.844156
53 U2F 0.417476 0.844156
54 UDM 0.416667 0.891892
55 UPG 0.415842 0.890411
56 UFM 0.415842 0.890411
57 GUD 0.415842 0.890411
58 GDU 0.415842 0.890411
59 TKW 0.41573 0.917808
60 G C C C 0.414062 0.817073
61 UPU 0.412371 0.888889
62 CG2 0.408333 0.851852
63 UP5 0.405172 0.835443
64 DOC 0.404494 0.866667
65 UFG 0.403846 0.844156
66 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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