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 313 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 277 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 212 families.
1 5X3D - 7XL C11 H19 N3 O11 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7XL; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 7XL 1 1
2 0RC 0.84 0.972603
3 CDP 0.77027 0.944444
4 HF4 0.74026 0.944444
5 CTP 0.74026 0.944444
6 C2G 0.698795 0.985915
7 C5P 0.689189 0.930556
8 CAR 0.689189 0.930556
9 C 0.689189 0.930556
10 CDM 0.678161 0.921053
11 2TM 0.658537 0.932432
12 C5G 0.651685 0.945205
13 CDC 0.647727 0.829268
14 CDP MG 0.6375 0.916667
15 CXY 0.626374 0.945205
16 A7R 0.59596 0.906667
17 1AA 0.591837 0.907895
18 CTN 0.575342 0.859155
19 AR3 0.575342 0.859155
20 I5A 0.546667 0.794521
21 2AA 0.536364 0.731959
22 CDP RB0 0.536082 0.945205
23 91P 0.518182 0.809524
24 CSQ 0.514852 0.906667
25 CSV 0.514852 0.906667
26 C3P 0.512195 0.916667
27 MCN 0.508929 0.8
28 PMT 0.504587 0.875
29 GPC 0.491379 0.8
30 FN5 0.491071 0.897436
31 FZQ 0.489362 0.821429
32 G G 6MZ C 0.482456 0.817073
33 NCC 0.478261 0.945946
34 16B 0.476744 0.868421
35 C2P 0.47619 0.930556
36 PCD 0.475 0.764045
37 CSF 0.474138 0.897436
38 YYY 0.466667 0.88
39 UDP 0.465909 0.888889
40 G C 0.465517 0.817073
41 DCP 0.462366 0.88
42 URM 0.459184 0.90411
43 660 0.459184 0.90411
44 DKZ 0.457831 0.75
45 HQ5 0.454545 0.761364
46 5HM 0.454545 0.932432
47 YSC 0.451923 0.770115
48 UTP 0.450549 0.888889
49 UPP 0.44898 0.864865
50 U5F 0.445652 0.888889
51 GTF 0.4375 0.855263
52 GCQ 0.43617 0.855263
53 UNP 0.43617 0.864865
54 DCM 0.426966 0.866667
55 DC 0.426966 0.866667
56 4TC 0.422414 0.8375
57 C5P SIA 0.421488 0.92
58 DCT 0.421053 0.88
59 UDH 0.42 0.894737
60 U2F 0.417476 0.844156
61 UPF 0.417476 0.844156
62 UDM 0.416667 0.891892
63 UFM 0.415842 0.890411
64 UPG 0.415842 0.890411
65 GDU 0.415842 0.890411
66 TKW 0.41573 0.917808
67 UPU 0.412371 0.888889
68 CG2 0.408333 0.851852
69 UP5 0.405172 0.835443
70 DOC 0.404494 0.866667
71 UFG 0.403846 0.844156
72 44P 0.4 0.878378
73 6MZ C U 0.4 0.817073
Similar Ligands (3D)
Ligand no: 1; Ligand: 7XL; Similar ligands found: 8
No: Ligand Similarity coefficient
1 L3U 0.8910
2 ADP 0.8868
3 TYD 0.8744
4 ADX 0.8742
5 DUD 0.8739
6 UDP UDP 0.8629
7 5CA 0.8586
8 AP2 0.8551
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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