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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: 66
This union binding pocket(no: 1) in the query (biounit: 5x3d.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5N5U AMP None
2 5Y0T TAT None
3 4NAT ADP None
4 4NAT 2W5 None
5 1MFI FHC 2.63158
6 5MLJ 9ST 2.67857
7 1R6T TYM 3.125
8 1PFY MSP 3.125
9 2H29 DND 3.125
10 2QTR NXX 3.125
11 1R6U TYM 3.125
12 5N26 CPT 3.125
13 5DK4 ATP 3.75
14 5DK4 5BX 3.75
15 3KFL ME8 3.75
16 3ZIU LSS 3.75
17 3C8Z 5CA 4.375
18 3GUZ PAF 4.375
19 4MAF ADX 4.375
20 5ZDK ATP 4.375
21 5VRH OLB 4.375
22 2PID YSA 5
23 5M90 JIF 5
24 3ND6 ATP 5
25 1PCA CIT 5
26 1KQN NAD 5.625
27 2V0C LEU LMS 6.25
28 2J5B TYE 6.25
29 4J75 TYM 6.25
30 1JZS MRC 6.875
31 5V49 8WA 6.875
32 2G36 TRP 6.875
33 1JIL 485 6.875
34 1VB3 KPA 6.875
35 3CM2 X23 6.92308
36 2X3F APC 7.5
37 2GKS ADP 7.5
38 1I7Q PYR 7.5
39 3X1M COA 7.54717
40 5LLT DND 8.125
41 5Y0Q APC 8.75
42 4NTO 1PW 8.75
43 2JBH 5GP 8.75
44 3COW 52H 9.375
45 3AFH GSU 9.375
46 5ML0 P2L 10
47 5O0B 9FE 11.25
48 2ZL4 ALA ALA ALA ALA 11.25
49 1V47 ADX 11.875
50 3UC5 ATP 12.1019
51 2X1L ADN 12.5
52 1T0S BML 13.75
53 5XET ME8 13.75
54 1ZDQ MSM 13.75
55 5Y0N ATP 14.375
56 1K4M NAD 15
57 1J09 GLU 16.25
58 1J09 ATP 16.25
59 3I7S PYR 18.125
60 3KP6 SAL 19.8675
61 6CHP F0Y 21.25
62 3K9W ADE 21.875
63 3K9W 4PS 21.875
64 1O6B ADP 22.5
65 2X0K PPV 25.625
66 3HL4 CDC 27.5
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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