Receptor
PDB id Resolution Class Description Source Keywords
5L44 1.75 Å EC: 3.-.-.- STRUCTURE OF K-26-DCP IN COMPLEX WITH THE K-26 TRIPEPTIDE ASTROSPORANGIUM HYPOTENSIONIS K-26 DIPEPTIDYL CARBOXYPEPTIDASE METALLOPROTEASE K-26 TRIPEPTIDANGIOTENSIN-1 CONVERTING ENZYME HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A PEPTIDYL-DIPEPTIDASE K-26-DC ACTINOMYCETE IN COMPLEX WITH ITS NATURAL INHIBITOR. FEBS J. V. 283 4357 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:1003;
A:1003;
A:1002;
B:1002;
Invalid;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:1004;
B:1004;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:1001;
B:1001;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
K26 B:1005;
A:1005;
Valid;
Valid;
none;
none;
submit data
535.527 C25 H34 N3 O8 P CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L44 1.75 Å EC: 3.-.-.- STRUCTURE OF K-26-DCP IN COMPLEX WITH THE K-26 TRIPEPTIDE ASTROSPORANGIUM HYPOTENSIONIS K-26 DIPEPTIDYL CARBOXYPEPTIDASE METALLOPROTEASE K-26 TRIPEPTIDANGIOTENSIN-1 CONVERTING ENZYME HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A PEPTIDYL-DIPEPTIDASE K-26-DC ACTINOMYCETE IN COMPLEX WITH ITS NATURAL INHIBITOR. FEBS J. V. 283 4357 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1Y79 ic50 = 12 uM GLY ASP n/a n/a
2 5L44 - K26 C25 H34 N3 O8 P CC[C@H](C)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: K26; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 K26 1 1
2 LEU ALA ILE TYR SER 0.458333 0.655172
3 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.405405 0.689655
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L44; Ligand: K26; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 5l44.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AHO 3A2 0.0000004974 0.50456 1.24113
2 4DV8 0LX 0.001092 0.46632 1.3308
3 1KAP GLY SER ASN SER 0.0003063 0.44734 1.46138
4 3Q2H QHF 0.009847 0.40055 2.0202
5 4CA5 3EF 0.0001043 0.53212 2.03735
6 4GAA BES 0.0007117 0.44723 2.13465
7 5MRH Q9Z 0.003923 0.43223 2.19619
8 4KX8 L2O VAL VAL ASP 0.002161 0.40523 2.34261
9 4JSR 1NQ 0.01717 0.42171 2.45614
10 5AMC GLY NIY 0.01444 0.40447 2.54372
11 4AR8 IP8 GLY PRO ALA 0.0005355 0.4527 2.79188
12 4ARF IP8 GLY PRO ALA 0.01329 0.4175 2.79188
13 3DWB RDF 0.002792 0.42964 2.83582
14 5A0R ACE GLU VAL ASN PRO 0.01701 0.40072 3.0303
15 2XQ0 BES 0.0003274 0.43717 3.32278
16 4DD8 BAT 0.007226 0.42409 3.36538
17 2ZXG S23 0.0002821 0.48194 3.3675
18 2W14 WR2 0.004297 0.40697 3.46535
19 1ATL 0QI 0.01096 0.40365 3.46535
20 2TCL RO4 0.002561 0.42883 3.5503
21 1R55 097 0.01702 0.40096 3.73832
22 4QHP 32Q 0.001048 0.41026 3.95315
23 3WV1 WHH 0.009582 0.42833 4.09357
24 4DS0 A2G GAL NAG FUC 0.03398 0.40405 4.29448
25 4WZV E40 0.001409 0.44793 4.375
26 3DBK RDF 0.001538 0.43679 6.64452
27 3HBV ALA LYS ALA SER GLN ALA ALA 0.00129 0.422 7.14286
28 1RL4 BRR 0.004051 0.43154 7.44681
29 1QJI PKF 0.0006288 0.44961 7.5
30 2FV5 541 0.01017 0.41517 7.66284
31 1BKC INN 0.002189 0.41169 7.8125
32 4TMN 0PK 0.0002211 0.42267 8.86076
33 1MMQ RRS 0.002308 0.41592 9.41177
34 4B52 RDF 0.0008667 0.43639 9.86842
35 4ZW3 4S9 0.0006944 0.47573 13.1772
36 1PVC ILE SER GLU VAL 0.0101 0.4369 14.7059
Pocket No.: 2; Query (leader) PDB : 5L44; Ligand: K26; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5l44.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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