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Receptor
PDB id Resolution Class Description Source Keywords
3ZH4 1.8 Å EC: 2.5.1.7 CRYSTAL STRUCTURE OF S. PNEUMONIAE HUNGARY 19A MURA1 IN COMPLEX WITH CITRATE STREPTOCOCCUS PNEUMONIAE TRANSFERASE MURA
Ref.: HETERORESISTANCE TO FOSFOMYCIN IS PREDOMINANT IN STREPTOCOCCUS PNEUMONIAE AND DEPENDS ON MURA1 GENE. ANTIMICROB.AGENTS CHEMOTHER. V. 57 2801 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:1420;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
FLC A:1419;
Valid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZH4 1.8 Å EC: 2.5.1.7 CRYSTAL STRUCTURE OF S. PNEUMONIAE HUNGARY 19A MURA1 IN COMPLEX WITH CITRATE STREPTOCOCCUS PNEUMONIAE TRANSFERASE MURA
Ref.: HETERORESISTANCE TO FOSFOMYCIN IS PREDOMINANT IN STREPTOCOCCUS PNEUMONIAE AND DEPENDS ON MURA1 GENE. ANTIMICROB.AGENTS CHEMOTHER. V. 57 2801 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3ZH4 - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ZH4 - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2RL1 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
2 3SWE - EPZ C20 H31 N3 O19 P2 C[C@H](C(=....
3 2RL2 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
4 3ZH4 - FLC C6 H5 O7 C(C(=O)[O-....
5 1DLG - HAI C6 H14 N C1CCC(CC1)....
6 3SWA - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
7 3KR6 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
8 3UPK - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
9 3V4T - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
10 3SU9 - EPZ C20 H31 N3 O19 P2 C[C@H](C(=....
11 1RYW - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
12 3ISS - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
13 3SWD - EPZ C20 H31 N3 O19 P2 C[C@H](C(=....
14 1EYN Kd = 40.8 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
15 1UAE - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
16 3LTH - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
17 3SWQ - EPU C20 H29 N3 O19 P2 CC(=O)N[C@....
18 3SWG - EPZ C20 H31 N3 O19 P2 C[C@H](C(=....
19 3VCY - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZH4; Ligand: FLC; Similar sites found with APoc: 52
This union binding pocket(no: 1) in the query (biounit: 3zh4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6GBV FMN None
2 3TKY N7I 1.63043
3 4D7E FAD 1.67064
4 2BUC 008 1.67064
5 3O9P MHI 1.90931
6 1JXZ BCA 2.23048
7 4O8O AHR 2.34375
8 1W2Y DUN 2.62009
9 4NCN GTP 2.86396
10 3JSX FAD 2.9304
11 3VPD ANP 3.20285
12 1TZD ADP 3.27273
13 1W2D 4IP 3.39623
14 4TMZ GSP 3.47826
15 1PK8 ATP 3.57995
16 3OI7 OI7 3.76712
17 1GVF PGH 4.05728
18 1N20 3AG 4.05728
19 1JGT APC 4.05728
20 5ICE SAH 4.29594
21 6GG9 FMN 4.32099
22 4A22 TD4 4.36047
23 1IXE CIT 4.77454
24 1H5R THM 4.77816
25 1H5T TYD 4.77816
26 5ZCT ANP 4.90196
27 5APK 76E 4.90566
28 5X8Q 82R 5.03876
29 4YAG NAI 5.19031
30 3T50 FMN 5.46875
31 4HIA FMN 5.68182
32 4R38 RBF 5.71429
33 1ME8 RVP 5.72792
34 5SVV FMN 5.83942
35 5EEH P9P 6.11702
36 4H8N NDP 6.12903
37 1N1G BCP 6.55738
38 2GN4 UD1 6.68605
39 6F05 GTS 7.44186
40 2AMT 1AA 7.54717
41 1NE7 16G 7.95848
42 1M5B BN1 7.98479
43 1R6D DAU 8.35322
44 4BUZ OCZ 8.53659
45 4YNU LGC 8.83055
46 4WUJ FMN 8.84354
47 4B1W LAB 9.375
48 2OFW ADX 11.0577
49 4BMO FMN 14.3198
50 2RHQ GAX 16.4678
51 1RF6 GPJ 36.5155
52 1RF6 S3P 36.5155
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