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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 V. 61 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 V. 61 2017 CHEMOTHER.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 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 1205 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 19 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 with APoc: 143
This union binding pocket(no: 1) in the query (biounit: 5v3d.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4YLZ LAT NAG GAL None
2 5D48 L96 None
3 1OPB RET None
4 1TW4 CHD None
5 5T7I LAT NAG GAL None
6 3WSJ MK1 None
7 2FTB OLA None
8 1KQW RTL None
9 4HK8 XYP XYP XYP XYP XYP XYP 1.37931
10 1Q23 FUA 1.37931
11 5HZ9 5M8 1.48148
12 6HDT BTN 1.50376
13 1SWG BTN 1.5625
14 4O12 2QG 2.06897
15 2Y88 2ER 2.06897
16 4U03 GTP 2.06897
17 4U03 TLL 2.06897
18 3B1Q NOS 2.06897
19 5ETR 5RW 2.06897
20 5ETR APC 2.06897
21 1KR3 113 2.06897
22 1ZM1 BGC BGC BGC 2.06897
23 4CNO 9PY 2.06897
24 4H6B 10X 2.06897
25 3STK PLM 2.27273
26 1WUB OTP 2.75862
27 5VC5 96M 2.75862
28 4IJP 1EH 2.75862
29 4A4X JUP 2.75862
30 5FD0 NAG 2.75862
31 4F7E 0SH 3.06122
32 3W8X FTK 3.44828
33 2JLD AG1 3.44828
34 3ZXR P3S 3.44828
35 3ZXR IQ1 3.44828
36 4UHL VFV 3.44828
37 6AM8 PLT 3.44828
38 4WOE ADP 3.44828
39 5EYK 5U5 3.44828
40 1MJJ HAL 3.44828
41 6AMI TRP 3.44828
42 1ZOA 140 3.8055
43 3AGC RCC 4.13793
44 3E2M E2M 4.13793
45 1SQI 869 4.13793
46 1VA6 ADP 4.13793
47 1VA6 P2S 4.13793
48 5T8U LPA 4.13793
49 5K7K 6RJ 4.13793
50 4I2D APC 4.13793
51 5Y72 DST 4.13793
52 5JGA 6KC 4.13793
53 4QDF 30Q 4.13793
54 4B2Z P5S 4.13793
55 1LN1 DLP 4.13793
56 2E5A LAQ 4.13793
57 1QCA FUA 4.13793
58 4QYN RTL 4.51128
59 4H2V AMP 4.54545
60 2YKL NLD 4.82759
61 2GVJ DGB 4.82759
62 1BGQ RDC 4.82759
63 3HCN CHD 4.82759
64 5FKP 6UL 4.82759
65 3A9H PQQ 4.82759
66 3ZGJ RMN 5.51724
67 1ZB6 GST 5.51724
68 1MH5 HAL 5.51724
69 2PVN P63 5.51724
70 4U0W 16G 5.51724
71 4WVO 3UZ 5.51724
72 5DQ8 FLF 5.51724
73 6C1S EFV 5.51724
74 4Z5W TYS ILE TYS THR GLN 5.51724
75 4N9I PCG 5.51724
76 2C49 ADN 5.51724
77 3E7O 35F 5.51724
78 5UR6 8KM 5.51724
79 2E56 MYR 5.55556
80 3RWP ABQ 6.2069
81 2XIQ MLC 6.2069
82 1REQ DCA 6.2069
83 6GWR FEW 6.2069
84 5KBZ 3B2 6.2069
85 4FFG 0U8 6.2069
86 4RF7 ARG 6.2069
87 4BG4 ADP 6.2069
88 3NNT DQA 6.2069
89 6BYM HC3 6.89655
90 5KD6 LBU 6.89655
91 5KD6 6C7 6.89655
92 1TFZ 869 7.58621
93 2IGA XX3 7.58621
94 2IGA XXP 7.58621
95 1IIU RTL 7.58621
96 2FLI DX5 7.58621
97 1CX4 CMP 7.58621
98 3VQ2 LP4 LP5 MYR DAO 7.58621
99 3AJH BL3 7.58621
100 4JJJ CE6 7.58621
101 4WXG 2BO 8.27586
102 1F1V DHY 8.27586
103 5IDM ANP 8.27586
104 3SCM LGN 8.27586
105 2YW2 ATP 8.27586
106 2TPS TPS 8.96552
107 2Q8Z NUP 8.96552
108 1OLM VTQ 9.65517
109 3RUG DB6 9.65517
110 2WL9 MBD 9.65517
111 3TCT 3MI 10.2362
112 3QUZ QUV 10.3448
113 1KW6 BPY 10.3448
114 5A5W GUO 10.3448
115 1KGI T4A 11.0236
116 1QIN GIP 11.0345
117 4R3U 3KK 11.0345
118 4R3U 3HC 11.0345
119 1OKE BOG 11.0345
120 1Y0G 8PP 11.7241
121 2C1X UDP 11.7241
122 4GJ3 0XP 11.7241
123 5U98 1KX 12.4138
124 1CBK ROI 12.4138
125 3A7R LAQ 13.1034
126 6EZ6 C5Z 13.1034
127 3PQB VGP 13.7931
128 2IRY DGT 13.7931
129 2ZYI STE 15.1724
130 2XK9 XK9 15.1724
131 4JD3 PLM 15.1724
132 4JD3 COA 15.1724
133 5EH0 5NW 15.8621
134 2X32 OTP 17.2414
135 2X34 UQ8 17.2414
136 1ERB ETR 18.6207
137 4WO4 JLS 20.6897
138 2ZHL NAG GAL GAL NAG 22.7586
139 2R5V HHH 23.4483
140 3HPY MCT 31.7241
141 1LGT BP3 37.931
142 2A4W BLM 39.3103
143 2P7Q GG6 48.1203
Pocket No.: 2; Query (leader) PDB : 5V3D; Ligand: FCN; Similar sites found with APoc: 36
This union binding pocket(no: 2) in the query (biounit: 5v3d.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5DRB 5FJ None
2 1OVD ORO None
3 1OVD FMN None
4 3IU9 T07 2.06897
5 4KBA 1QM 2.06897
6 4AZP A9M 2.17391
7 1UNB PN1 2.75862
8 5YXC CIT 2.75862
9 4C2V YJA 3.44828
10 3AMN CBK 4.13793
11 3AMN CBI 4.13793
12 4XV1 904 4.13793
13 4X6F 3XU 4.7619
14 2WPU KYT 4.82759
15 2OJW ADP 4.82759
16 5XVG 8FX 5.51724
17 1N07 FMN 5.51724
18 4YZC STU 5.51724
19 6MPT C30 5.51724
20 3TFJ THG 5.51724
21 1ZB6 DIN 5.51724
22 4WZH FMN 5.51724
23 6FA4 D1W 5.78035
24 3WDX BGC BGC GLC 6.2069
25 3QCJ NX4 6.2069
26 4O9S 2RY 6.89655
27 4IKR PVP 6.89655
28 2IGA XX2 7.58621
29 1XPK HMG 7.58621
30 2BPM 529 8.27586
31 2DM6 NAP 9.65517
32 5AYE BMA BMA 10.3448
33 1GP6 QUE 11.0345
34 1GP6 DH2 11.0345
35 1GP6 SIN 11.0345
36 4LIT AKG 18.6207
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