Receptor
PDB id Resolution Class Description Source Keywords
5V3D 1.54 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FROM KLEB PNEUMONIAE WITH BOUND FOSFOMYCIN KLEBSIELLA PNEUMONIAE FOSA FOSAKP FOSFOMYCIN GLUTATHIONE TRANSFERASE TRANSFERA
Ref.: STRUCTURE AND DYNAMICS OF FOSA-MEDIATED FOSFOMYCIN RESISTANCE IN KLEBSIELLA PNEUMONIAE AND ESCHERICHIA ANTIMICROB. AGENTS 2017 CHEMOTHER.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K B:202;
A:202;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
MN A:204;
A:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
EDO B:203;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FCN A:205;
A:203;
Valid;
Valid;
none;
none;
submit data
138.059 C3 H7 O4 P C[C@H...
PEG A:201;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V3D 1.54 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FOSFOMYCIN RESISTANCE PROTEIN FROM KLEB PNEUMONIAE WITH BOUND FOSFOMYCIN KLEBSIELLA PNEUMONIAE FOSA FOSAKP FOSFOMYCIN GLUTATHIONE TRANSFERASE TRANSFERA
Ref.: STRUCTURE AND DYNAMICS OF FOSA-MEDIATED FOSFOMYCIN RESISTANCE IN KLEBSIELLA PNEUMONIAE AND ESCHERICHIA ANTIMICROB. AGENTS 2017 CHEMOTHER.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1NKI Kd ~ 0.2 uM PPF C H3 O5 P C(=O)(O)P(....
2 1LQP - FCN C3 H7 O4 P C[C@H]1[C@....
3 5V3D - FCN C3 H7 O4 P C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FCN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 FCN 1 1
2 FM4 0.481481 0.903226
3 FV1 0.433333 0.848485
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V3D; Ligand: FCN; Similar sites found: 54
This union binding pocket(no: 1) in the query (biounit: 5v3d.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YLZ LAT NAG GAL 0.000477 0.47077 None
2 5T7I LAT NAG GAL 0.004367 0.41066 None
3 5BYZ 4WE 0.03905 0.40381 None
4 1KQW RTL 0.02181 0.40296 None
5 1Q23 FUA 0.02376 0.40391 1.37931
6 1SWG BTN 0.01538 0.407 1.5625
7 1KR3 113 0.007408 0.41453 2.06897
8 4H6B 10X 0.01573 0.40193 2.06897
9 5VC5 96M 0.01232 0.42864 2.75862
10 4IJP 1EH 0.02076 0.40914 2.75862
11 4A4X JUP 0.03026 0.40572 2.75862
12 2JLD AG1 0.0157 0.43137 3.44828
13 4UHL VFV 0.02271 0.42409 3.44828
14 1MJJ HAL 0.03119 0.40324 3.44828
15 1ZOA 140 0.04909 0.40225 3.8055
16 1SQI 869 0.00003957 0.43099 4.13793
17 5T8U LPA 0.005204 0.42878 4.13793
18 4I2D APC 0.01405 0.42491 4.13793
19 2GJ5 VD3 0.0235 0.42138 4.13793
20 1VJY 460 0.02189 0.41824 4.13793
21 1LN1 DLP 0.03178 0.41118 4.13793
22 2E5A LAQ 0.02776 0.41074 4.13793
23 4QYN RTL 0.02774 0.40319 4.51128
24 2YKL NLD 0.002702 0.44604 4.82759
25 3PE2 E1B 0.0185 0.43603 4.82759
26 3HCN CHD 0.03159 0.42565 4.82759
27 3A9H PQQ 0.01547 0.40586 4.82759
28 3ZGJ RMN 0.000224 0.4873 5.51724
29 1ZB6 GST 0.005286 0.44709 5.51724
30 5DQ8 FLF 0.01372 0.42174 5.51724
31 4Z5W TYS ILE TYS THR GLN 0.0314 0.40699 5.51724
32 2XIQ MLC 0.006875 0.44731 6.2069
33 3NNT DQA 0.0144 0.40313 6.2069
34 3AJH BL3 0.01957 0.40483 7.58621
35 2IGA XX3 0.0004348 0.40314 7.58621
36 4JJJ CE6 0.03667 0.40147 7.58621
37 4D2S DYK 0.006215 0.42738 8.27586
38 5IDM ANP 0.01298 0.41722 8.27586
39 5A5W GUO 0.04169 0.4087 10.3448
40 1KGI T4A 0.009747 0.43202 11.0236
41 1OKE BOG 0.01883 0.40135 11.0345
42 1Y0G 8PP 0.001256 0.50304 11.7241
43 2C1X UDP 0.01987 0.42319 11.7241
44 3A7R LAQ 0.001179 0.49413 13.1034
45 2IRY DGT 0.02041 0.40408 13.7931
46 2ZYI STE 0.005743 0.44879 15.1724
47 4JD3 COA 0.04486 0.41308 15.1724
48 4JD3 PLM 0.0463 0.41308 15.1724
49 5IH9 6BF 0.04474 0.40569 16.5517
50 1ERB ETR 0.03838 0.40372 18.6207
51 2R5V HHH 0.0004461 0.41992 23.4483
52 3HPY MCT 0.006808 0.41104 31.7241
53 2A4W BLM 0.01195 0.4338 39.3103
54 2P7Q GG6 0.000003196 0.58655 48.1203
Pocket No.: 2; Query (leader) PDB : 5V3D; Ligand: FCN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5v3d.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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