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Receptor
PDB id Resolution Class Description Source Keywords
3P7I 1.71 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHND IN COMPLEX WITH 2 AMINOETHYL PHOSPHONATE ESCHERICHIA COLI UTI89 PHOSPHONATE BINDING PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF THE ESCHERICHIA COLI PHOSPHONATE BINDI PROTEIN PHND AND RATIONALLY OPTIMIZED PHOSPHONATE BIOSENSORS. J.MOL.BIOL. V. 414 356 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:314;
A:315;
A:316;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
P7I A:313;
Valid;
none;
Kd ~ 5 nM
125.064 C2 H8 N O3 P C(CP(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P7I 1.71 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF ESCHERICHIA COLI PHND IN COMPLEX WITH 2 AMINOETHYL PHOSPHONATE ESCHERICHIA COLI UTI89 PHOSPHONATE BINDING PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURE OF THE ESCHERICHIA COLI PHOSPHONATE BINDI PROTEIN PHND AND RATIONALLY OPTIMIZED PHOSPHONATE BIOSENSORS. J.MOL.BIOL. V. 414 356 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3P7I Kd ~ 5 nM P7I C2 H8 N O3 P C(CP(=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 175 families.
1 3P7I Kd ~ 5 nM P7I C2 H8 N O3 P C(CP(=O)(O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3P7I Kd ~ 5 nM P7I C2 H8 N O3 P C(CP(=O)(O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P7I; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P7I 1 1
2 2HE 0.5 0.675676
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P7I; Ligand: P7I; Similar sites found with APoc: 67
This union binding pocket(no: 1) in the query (biounit: 3p7i.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2BNF UTP 1.65975
2 5VEG FMN 1.68539
3 1SNN 5RP 1.76211
4 6BQC LOP 1.86916
5 1GUZ NAD 1.93548
6 2WK9 PLG 2.18069
7 1F76 FMN 2.18069
8 4QDC ASD 2.49221
9 3UWB BB2 2.5974
10 1H5R G1P 2.73038
11 1H5T DAU 2.73038
12 5G09 6DF 2.80374
13 5T52 NGA 2.89256
14 5T52 A2G 2.89256
15 5XDT MB3 2.92208
16 2PFZ PCA 2.99003
17 2BEK ATP 3.11284
18 1WUU ANP 3.11526
19 1PA9 CSN 3.16901
20 1MJT ITU 3.42679
21 1Z2I NAD 3.42679
22 6FU4 HSM 3.47826
23 4JGP PYR 3.68664
24 1DL2 NAG NAG BMA 4.04984
25 4WAS COO 4.36137
26 5YVT NAI 4.36137
27 4RF7 ARG 4.36137
28 3TKA SAM 4.36137
29 3W6G FLC 4.36137
30 2HIM ASN 4.6729
31 1W2T SUC GLA 4.98442
32 4CFT M48 4.98442
33 4YHQ G10 5.05051
34 4KP7 1UQ 5.29595
35 4TVD BGC 5.60748
36 3RLF ANP 5.60748
37 3TYZ PAB 5.71429
38 3TYZ XHP 5.71429
39 6CI9 NAP 5.79151
40 4RGA 3PV 5.919
41 2HF9 GSP 6.19469
42 4X1B MLI 6.23053
43 3KF3 FRU 6.23053
44 4B7P 9UN 6.52174
45 3CTL S6P 7.35931
46 1Q0H FOM 7.38916
47 2NYA MGD 7.47664
48 2Z3U CRR 7.47664
49 6G09 BXP 8.09969
50 1P4A PCP 8.42105
51 5AA4 6X4 8.72274
52 2DX7 CIT 8.77193
53 4PX9 ADP 8.90411
54 2J5B TYE 9.03427
55 2FLI DX5 9.09091
56 4BH1 SIA GAL NAG 9.63855
57 1LYB IVA VAL VAL STA ALA STA 9.95851
58 5OPJ AHR 11.5265
59 5K2M ADP 12.8205
60 1MJH ATP 12.963
61 5XKT GNP 15
62 3BRN SRO 15.9236
63 4K2G 1OQ 18.8235
64 4MUV PCG 21.1268
65 1Z83 AP5 23.4694
66 5LV1 78T 30.3571
67 5LQ8 GB 34.7518
Pocket No.: 2; Query (leader) PDB : 3P7I; Ligand: P7I; 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: 3p7i.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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