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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 269 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 237 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 187 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: 50
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 RMT 0.447917 0.848485
13 TLP 0.443182 0.818182
14 2BK 0.443182 0.818182
15 5PA 0.443182 0.850746
16 2BO 0.443182 0.818182
17 ORX 0.44086 0.878788
18 ILP 0.43956 0.794118
19 PPD 0.438202 0.890625
20 PDD 0.436782 0.818182
21 PP3 0.436782 0.818182
22 PDA 0.436782 0.818182
23 PE1 0.43617 0.878788
24 QLP 0.434783 0.867647
25 PLA 0.433333 0.838235
26 PLS 0.426966 0.861538
27 PDG 0.423913 0.892308
28 PGU 0.423913 0.892308
29 CBA 0.423913 0.782609
30 AN7 0.423529 0.746032
31 C6P 0.422222 0.861538
32 LPI 0.419355 0.802817
33 PL2 0.419355 0.838235
34 PMG 0.419355 0.84058
35 FOO 0.418605 0.809524
36 PY5 0.417582 0.838235
37 2B6 0.415842 0.670886
38 2B1 0.414141 0.653846
39 EVM 0.411111 0.815385
40 PSZ 0.410526 0.75
41 EA5 0.410526 0.880597
42 4LM 0.409091 0.784615
43 0JO 0.409091 0.8
44 7XF 0.408602 0.863636
45 F0G 0.404494 0.793651
46 IN5 0.402299 0.787879
47 PY6 0.4 0.814286
48 FEV 0.4 0.772727
49 33P 0.4 0.80303
50 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 with APoc: 84
This union binding pocket(no: 1) in the query (biounit: 1c7o.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 4IYO 0JO 1.00756
3 4IY7 KOU 1.00756
4 4IY7 0JO 1.00756
5 5YKT PMP 1.25313
6 5CQG 55C 1.25313
7 3NOJ PYR 1.2605
8 3ITJ CIT 1.47929
9 6DND PLP 1.50376
10 1YAA MAE 1.50376
11 5W19 9TD 1.75439
12 1P7T PYR 1.75439
13 2WK9 PLG 1.79949
14 2WK9 PLP 1.79949
15 1D8C GLV 2.00501
16 4RF7 ARG 2.25564
17 5NM7 GLY 2.25564
18 5X2Z 3LM 2.26131
19 5X30 7XF 2.26131
20 6CZY PMP 2.76243
21 5JIB OIA 2.96736
22 6ECG PM9 3.25815
23 2Z9V PXM 3.31633
24 1F6D UDP 3.45745
25 5TXR PLP 3.7594
26 1NXJ TLA 3.82514
27 4BHL ARG 3.93258
28 4BG4 ARG 3.93258
29 5T4J PLP ABU 4.10959
30 4AZJ SEP PLP 4.16667
31 3ZRR PXG 4.16667
32 2HOX P1T 4.51128
33 1AJS PLA 4.51128
34 2CST MAE 4.51128
35 3B8I OXL 4.52962
36 1TOI HCI 4.54545
37 6CED EYA 4.6729
38 5IWQ PLP 4.7619
39 6CD1 PLG 4.7619
40 6CD1 PLS 4.7619
41 4NZ6 DLY 4.79233
42 4NTO 1PW 5.31401
43 1DJ9 KAM 5.46875
44 5FJJ MAN 6.01504
45 2AY3 MPP 6.09137
46 4RKC PMP 6.28141
47 2FYF PLP 6.28141
48 4FL0 PLP 6.76692
49 6C3C EJ1 7.01754
50 3PDB PMP 7.01754
51 3PD6 PMP 7.01754
52 2J5V PCA 7.90191
53 5E5U MLI 8.54271
54 1LW4 TLP 8.93372
55 1LW4 PLP 8.93372
56 3OKI OKI 9.01288
57 1OXO IK2 9.02256
58 1FC4 AKB PLP 9.02256
59 5AEE NSQ 9.02256
60 6C92 EQJ 10.1064
61 6C8T EQJ 10.1064
62 6C9B EGV 10.1064
63 1UU1 PMP HSA 11.9403
64 3UVD MB3 12.0968
65 4JE5 PMP 13.0326
66 4JE5 PLP 13.0326
67 1GEX PLP HSA 13.2022
68 2R2N KYN 13.7845
69 2R2N PMP 13.7845
70 1M7Y PPG 15.7895
71 1LC8 33P 15.9341
72 2ZYJ PGU 16.6247
73 4R5Z PMP 17.1662
74 4R5Z SIN 17.1662
75 2ZC0 PMP 17.5439
76 2R5C C6P 20.3008
77 2R5E QLP 20.3008
78 1U08 PLP 20.7254
79 5VEQ PMP 20.802
80 1V2F HCI 22.0472
81 3EI9 PL6 22.9167
82 1GCK ASP PLP 27.2727
83 3CQ5 PMP 27.6423
84 1GDE GLU PLP 46.7866
Pocket No.: 2; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 1c7o.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4LHM AZZ 2.50627
2 4OIT MAN 2.65487
3 4CCW VKC 2.67559
4 3GDN MXN 2.75689
5 6EWR PMP 2.75689
6 3OQJ 3CX 3.11284
7 4MIB 28M 3.50877
8 3QP8 HL0 4.34783
9 4LED XXR 4.47761
10 4D4U FUC GAL NAG 4.7619
11 5ZI9 FLC 5.76923
12 3PD6 KYN 7.01754
13 1E5F PLP 12.5313
14 3FVU IAC 20.3008
Pocket No.: 3; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 1c7o.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2FVK DUC 3.50877
2 4CQK PIO 4.25532
3 4OWK NGA 4.34783
4 4D4U FUC NDG GAL FUC 4.7619
5 4IA6 EIC 5.26316
6 3BHO B4P 5.28846
7 4HVK PMP 6.28272
8 5WSY 7UC 8.09249
9 5ENZ UDP 10.9091
10 6FEA HCA 11.5044
Pocket No.: 4; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 1c7o.bio4) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2UXR ICT 2.00501
2 2IMP LAC 2.25564
3 5X30 4LM 2.26131
4 3R7F CP 2.30263
5 1QH8 HCA 3.50877
6 4LNL PLG 3.6036
7 4LNL 2BK 3.6036
8 4LNL 2BO 3.6036
9 1JS3 PLP 142 3.7594
10 5BRP PNG 4.26065
11 2AZ3 CDP 4.26829
12 1OBB MAL 5.51378
13 6C92 EGV 10.1064
14 4GC1 MAN MAN 10.5072
15 3WGC PLG 11.7302
16 1MFA GLA MMA ABE 13.3333
Pocket No.: 5; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 12
This union binding pocket(no: 5) in the query (biounit: 1c7o.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2W5T GP9 1.50376
2 4KVL PLM 1.75439
3 5EO8 TFU 1.92926
4 1DFO PLG 3.00752
5 3A4M ADP 3.07692
6 5WHU SIA GAL 4.69799
7 4D52 GIV 4.7619
8 3B00 16A 5.51471
9 2BO4 FLC 6.54912
10 4USS GSH 8
11 3UG4 AHR 8.5213
12 3AIH BMA MAN MAN 17.7419
Pocket No.: 6; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 1
This union binding pocket(no: 6) in the query (biounit: 1c7o.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5FQ0 FLC 7.01754
Pocket No.: 7; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 10
This union binding pocket(no: 7) in the query (biounit: 1c7o.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2VWT PYR 1.87266
2 2YFT DQR 3.00752
3 3GD8 GOL 3.13901
4 2V5K OXM 3.48432
5 3R9V DXC 3.84615
6 1YHM AHD 4.14365
7 1LDN OXM 6.01266
8 3OYW TDG 6.71642
9 2BMR 3NT 7.73196
10 5UMW RBF 11.9205
Pocket No.: 8; Query (leader) PDB : 1C7O; Ligand: PPG; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 1c7o.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2TPL HPP 3.25815
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