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: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZH4; Ligand: FLC; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 3zh4.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D7E FAD 0.02606 0.42804 1.67064
2 2BUC 008 0.009491 0.40716 1.67064
3 3O9P MHI 0.02136 0.40077 1.90931
4 1JXZ BCA 0.02588 0.42032 2.23048
5 4O8O AHR 0.01432 0.41239 2.34375
6 1W2Y DUN 0.04356 0.40352 2.62009
7 4NCN GTP 0.02141 0.41502 2.86396
8 3JSX FAD 0.02189 0.40656 2.9304
9 3VPD ANP 0.01894 0.40636 3.20285
10 1TZD ADP 0.008386 0.40717 3.27273
11 1W2D 4IP 0.01743 0.42891 3.39623
12 4TMZ GSP 0.03174 0.40563 3.47826
13 3OI7 OI7 0.005992 0.413 3.76712
14 1GVF PGH 0.002089 0.43752 4.05728
15 1N20 3AG 0.01216 0.41853 4.05728
16 1JGT APC 0.04214 0.41265 4.05728
17 1IXE CIT 0.0113 0.4061 4.77454
18 1H5R THM 0.00711 0.41381 4.77816
19 5APJ 76E 0.01518 0.41795 4.88722
20 5APK 76E 0.0218 0.40726 4.90566
21 5X8Q 82R 0.01058 0.42367 5.03876
22 4R38 RBF 0.0188 0.4016 5.71429
23 1ME8 RVP 0.02213 0.42204 5.72792
24 4ZOM 4Q3 0.01611 0.41718 5.77778
25 5SVV FMN 0.01982 0.41629 5.83942
26 4H8N NDP 0.02187 0.41828 6.12903
27 1R6D DAU 0.04829 0.40383 8.35322
28 4BUZ OCZ 0.01643 0.42559 8.53659
29 4YNU LGC 0.00433 0.47385 8.83055
30 4B1W LAB 0.01269 0.40614 9.375
31 2OFW ADX 0.02276 0.40567 11.0577
32 4BMO FMN 0.02668 0.41613 14.3198
33 1RF6 GPJ 0.01065 0.40142 36.5155
34 1RF6 S3P 0.01065 0.40142 36.5155
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