Receptor
PDB id Resolution Class Description Source Keywords
1C7O 2.5 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CON PYRIDOXAL 5'-PHOSPHATE-L-AMINOETHOXYVINYLGLYCINE COMPLEX TREPONEMA DENTICOLA TRANSFERASE AMINOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENT PYRIDOXAL 5'-PHOSPHATE-DEPENDENT PROTEIN ACTING AS HAEMOLYTIC ENZYME. EMBO J. V. 19 3168 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPG A:1500;
B:2500;
C:3500;
D:4500;
E:5500;
F:6500;
G:7500;
H:8500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
389.298 C14 H20 N3 O8 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C7O 2.5 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENTICOLA CON PYRIDOXAL 5'-PHOSPHATE-L-AMINOETHOXYVINYLGLYCINE COMPLEX TREPONEMA DENTICOLA TRANSFERASE AMINOTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF CYSTALYSIN FROM TREPONEMA DENT PYRIDOXAL 5'-PHOSPHATE-DEPENDENT PROTEIN ACTING AS HAEMOLYTIC ENZYME. EMBO J. V. 19 3168 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 1C7O - PPG C14 H20 N3 O8 P Cc1c(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 211 families.
1 1C7O - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1C7O - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
2 3B1D - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3B1E - P1T C11 H15 N2 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPG; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 PPG 1 1
2 PMP 0.513514 0.825397
3 1D0 0.505263 0.826087
4 P1T 0.488095 0.850746
5 GT1 0.467532 0.686567
6 HEY 0.461538 0.865672
7 PXP 0.460526 0.734375
8 3LM 0.456522 0.763889
9 PLG 0.452381 0.861538
10 LCS 0.450549 0.727273
11 IK2 0.448276 0.850746
12 2BK 0.443182 0.818182
13 TLP 0.443182 0.818182
14 2BO 0.443182 0.818182
15 5PA 0.443182 0.850746
16 ORX 0.44086 0.878788
17 ILP 0.43956 0.794118
18 PPD 0.438202 0.890625
19 PP3 0.436782 0.818182
20 PDA 0.436782 0.818182
21 PDD 0.436782 0.818182
22 PE1 0.43617 0.878788
23 QLP 0.434783 0.867647
24 PLA 0.433333 0.838235
25 PLS 0.426966 0.861538
26 PDG 0.423913 0.892308
27 PGU 0.423913 0.892308
28 CBA 0.423913 0.782609
29 AN7 0.423529 0.746032
30 C6P 0.422222 0.861538
31 PMG 0.419355 0.84058
32 PL2 0.419355 0.838235
33 FOO 0.418605 0.809524
34 PY5 0.417582 0.838235
35 2B6 0.415842 0.670886
36 2B1 0.414141 0.653846
37 PSZ 0.410526 0.75
38 EA5 0.410526 0.880597
39 0JO 0.409091 0.8
40 4LM 0.409091 0.784615
41 7XF 0.408602 0.863636
42 IN5 0.402299 0.787879
43 PY6 0.4 0.814286
44 33P 0.4 0.80303
45 76U 0.4 0.878788
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1c7o.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: 49
This union binding pocket(no: 2) in the query (biounit: 1c7o.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.02392 0.41931 None
2 4IYO 0JO 0.005491 0.4032 1.00756
3 4IY7 KOU 0.005731 0.40241 1.00756
4 4IY7 0JO 0.005924 0.40181 1.00756
5 5CQG 55C 0.01838 0.41214 1.25313
6 1YAA MAE 0.00007715 0.43137 1.50376
7 2WK9 PLG 0.01223 0.40413 1.79949
8 4RF7 ARG 0.00981 0.43617 2.25564
9 5X2Z 3LM 0.00303 0.42278 2.26131
10 5X30 7XF 0.004165 0.41178 2.26131
11 4CCW VKC 0.02657 0.41286 2.67559
12 4MIB 28M 0.041 0.40455 3.50877
13 4AZJ SEP PLP 0.003974 0.411 4.16667
14 2HOX P1T 0.00000001333 0.6306 4.51128
15 1AJS PLA 0.000004517 0.54116 4.51128
16 2CST MAE 0.00005069 0.4348 4.51128
17 1TOI HCI 0.0005666 0.4915 4.54545
18 5IWQ PLP 0.0001523 0.4956 4.7619
19 1DJ9 KAM 0.008778 0.40464 5.46875
20 5FJJ MAN 0.01957 0.4429 6.01504
21 2AY3 MPP 0.0002082 0.44092 6.09137
22 4RKC PMP 0.0003497 0.47305 6.28141
23 4FL0 PLP 0.00001463 0.47765 6.76692
24 3PDB PMP 0.0009205 0.41349 7.01754
25 3PD6 PMP 0.0008436 0.41027 7.01754
26 5E5U MLI 0.02742 0.43049 8.54271
27 1FC4 AKB PLP 0.006508 0.40007 9.02256
28 5DJ3 5DK 0.000008698 0.51441 10.1064
29 1UU1 PMP HSA 0.000002967 0.53192 11.9403
30 4JE5 PMP 0.00003743 0.53136 13.0326
31 4JE5 PLP 0.0000475 0.52635 13.0326
32 1GEX PLP HSA 0.000007023 0.53733 13.2022
33 2R2N PMP 0.00003611 0.52515 13.7845
34 2R2N KYN 0.000009825 0.45083 13.7845
35 1M7Y PPG 0.00000132 0.57738 15.7895
36 1LC8 33P 0.0001038 0.48834 15.9341
37 2ZYJ PGU 0.0000001302 0.61505 16.6247
38 4R5Z PMP 0.00000492 0.51319 17.1662
39 4R5Z SIN 0.0004998 0.46589 17.1662
40 2ZC0 PMP 0.0002616 0.44822 17.5439
41 2R5C C6P 0.0000003188 0.58237 20.3008
42 2R5E QLP 0.0000003722 0.57952 20.3008
43 1U08 PLP 0.00001111 0.47219 20.7254
44 3E2Y PMP 0.00001092 0.47989 20.802
45 1V2F HCI 0.00005969 0.43876 22.0472
46 3EI9 PL6 0.0000001496 0.5611 22.9167
47 1GCK ASP PLP 0.000002061 0.54809 27.2727
48 3CQ5 PMP 0.0000293 0.4482 27.6423
49 1GDE GLU PLP 0.0000002925 0.57562 46.7866
Pocket No.: 3; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1c7o.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: 6
This union binding pocket(no: 4) in the query (biounit: 1c7o.bio4) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WK9 PLP 0.007679 0.40759 1.79949
2 5X30 4LM 0.006088 0.40994 2.26131
3 3ZRR PXG 0.002961 0.40956 4.16667
4 5BRP PNG 0.01472 0.4176 4.26065
5 1LW4 TLP 0.003246 0.4049 8.93372
6 1LW4 PLP 0.002665 0.40182 8.93372
Pocket No.: 5; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 1c7o.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4D4U FUC NDG GAL FUC 0.02146 0.40648 4.7619
2 5AEE NSQ 0.005302 0.4181 9.02256
3 3A8H TAY 0.0171 0.41276 9.66184
Pocket No.: 6; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1c7o.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: 1
This union binding pocket(no: 7) in the query (biounit: 1c7o.bio3) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R9V DXC 0.02606 0.40406 3.84615
Pocket No.: 8; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1c7o.bio3) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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