Receptor
PDB id Resolution Class Description Source Keywords
5FYR 1.45 Å EC: 7.-.-.- CALCIUM-DEPENDENT PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C F GRAM-NEGATIVE BACTERIUM, PSEUDOMONAS SP, APO FORM, MYOINOSIC OMPLEX PSEUDOMONAS SP. HYDROLASE PI-PLC BACTERIAL PSEUDOMONAS GRAM-NEGATIVE CADEPENDENT MYOINOSITOL COMPLEX
Ref.: THE STRUCTURE OF A CALCIUM-DEPENDENT PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C FROM PSEU SP. 62186, THE FIRST FROM A GRAM-NEGATIVE BACTERIUM ACTA CRYSTALLOGR D STRUCT V. 73 32 2017 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:501;
B:501;
D:501;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
INS D:301;
B:301;
C:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C1(C(...
CA B:401;
C:401;
A:401;
D:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FYR 1.45 Å EC: 7.-.-.- CALCIUM-DEPENDENT PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C F GRAM-NEGATIVE BACTERIUM, PSEUDOMONAS SP, APO FORM, MYOINOSIC OMPLEX PSEUDOMONAS SP. HYDROLASE PI-PLC BACTERIAL PSEUDOMONAS GRAM-NEGATIVE CADEPENDENT MYOINOSITOL COMPLEX
Ref.: THE STRUCTURE OF A CALCIUM-DEPENDENT PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C FROM PSEU SP. 62186, THE FIRST FROM A GRAM-NEGATIVE BACTERIUM ACTA CRYSTALLOGR D STRUCT V. 73 32 2017 BIOL
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5FYR - INS C6 H12 O6 C1(C(C(C(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5FYR - INS C6 H12 O6 C1(C(C(C(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5FYR - INS C6 H12 O6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: INS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 INS 1 1
2 YTB 0.416667 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found: 30
This union binding pocket(no: 1) in the query (biounit: 5fyr.bio4) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XIQ MLC 0.02711 0.40925 2.01342
2 1DJX I3P 0.000005525 0.48218 2.34899
3 5JKG 6LF 0.03927 0.407 2.34899
4 2RFY CBI 0.003302 0.43931 2.68456
5 5LRT ADP 0.006738 0.42889 2.68456
6 1Q2E MGL SGC GLC GLC 0.006626 0.41992 2.68456
7 4YWV SSN 0.03422 0.40422 2.68456
8 4WH9 3M8 0.008466 0.41488 2.73224
9 2FB3 GTP 0.03394 0.40594 3.02013
10 4OMJ 2TX 0.007029 0.45307 3.23741
11 1R87 XYP XYP XYP 0.02063 0.40411 3.3557
12 3A23 GAL 0.003136 0.42722 3.69128
13 4EUO ABU 0.009056 0.40217 3.75
14 5I0U DCY 0.01079 0.41065 4
15 1N62 MCN 0.04248 0.40368 4.02685
16 3FHQ BMA NGT MAN MAN 0.01446 0.41344 4.36242
17 3AVS OGA 0.009368 0.41023 4.36242
18 3NC9 TR3 0.00869 0.45296 4.69799
19 5D6T NGA 0.007973 0.41203 4.77941
20 1UAS GLA 0.002799 0.43277 5.03356
21 2A4W BLM 0.03872 0.40859 5.07246
22 4RW3 IPD 0.00003041 0.46981 6.04027
23 3WG3 A2G GAL NAG FUC 0.005736 0.4237 7.86517
24 5T9C G3P 0.001525 0.43614 8.95522
25 4WOE 3S5 0.006016 0.40364 9.73154
26 2GJ3 FAD 0.0108 0.41151 10
27 5U98 1KX 0.01987 0.42792 10.101
28 1RBL CAP 0.0132 0.42609 14.6789
29 5UKL SIX 0.004854 0.44541 16.129
30 3ACL 3F1 0.01997 0.40072 17.9054
Pocket No.: 2; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 5fyr.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K60 ADP 0.01019 0.4034 1.79372
2 4OKZ 3E9 0.01472 0.42898 2.01342
3 5K6A NAP 0.03401 0.40502 2.08333
4 1RF6 GPJ 0.02092 0.40503 2.34899
5 1RF6 S3P 0.02468 0.40443 2.34899
6 4CLI 5P8 0.03741 0.40662 2.68456
7 3EPO MP5 0.01583 0.40123 3.02013
8 4D1J DGJ 0.007237 0.41527 3.3557
9 4TMK T5A 0.01783 0.41964 3.75587
10 1WDD CAP 0.0116 0.4196 3.90625
11 4U63 FAD 0.01342 0.42352 4.69799
12 3UPY FOM 0.009476 0.40346 5.03356
13 4QPL V3L 0.01377 0.40981 7.74194
14 1T90 NAD 0.01556 0.42791 8.72483
15 5A5W GUO 0.02238 0.41737 9.09091
16 2V6A CAP 0.01416 0.4185 15.7143
Pocket No.: 3; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 5fyr.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1B57 PGH 0.02021 0.40025 2.01342
2 1Q6D GLC GLC 0.04707 0.40604 4.36242
3 1U7Z PMT 0.04768 0.40099 5.75221
Pocket No.: 4; Query (leader) PDB : 5FYR; Ligand: INS; Similar sites found: 4
This union binding pocket(no: 4) in the query (biounit: 5fyr.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GFZ FMN 0.01283 0.40134 2.34899
2 4KCF AKM 0.01781 0.41582 3.3557
3 5UIU 8CG 0.02984 0.40425 5.26316
4 5F3I 5UJ 0.008929 0.44149 5.36913
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