Receptor
PDB id Resolution Class Description Source Keywords
1R9N 2.3 Å EC: 3.4.14.5 CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLE DECAPEPTIDE (TNPY) AT 2.3 ANG. RESOLUTION HOMO SAPIENS ALPHA/BETA HYDROLASE EIGHT-BLADED BETA PROPELLER SERINE PRHYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV COMPLEX WITH A DECAPEPTIDE REVEALS DETAILS ON SUBST SPECIFICITY AND TETRAHEDRAL INTERMEDIATE FORMATION. PROTEIN SCI. V. 13 412 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1501;
A:2191;
A:2811;
A:3211;
A:6851;
A:851;
B:1501;
B:2191;
B:2811;
B:3211;
B:851;
C:2191;
C:2811;
C:3211;
C:5201;
D:2191;
D:2811;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:2291;
B:2291;
C:2291;
D:2291;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
TYR PRO SER LYS PRO ASP ASN PRO GLY GLU E:1001;
F:1001;
G:1001;
H:1001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
690.775 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RWQ 2.2 Å EC: 3.4.14.5 HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH 5-AMINOMETHYL- DICHLORO-PHENYL)-2-(3,5-DIMETHOXY-PHENYL)-PYRIMIDIN-4-YLAMI HOMO SAPIENS DIPEPTIDYL PEPTIDASE IV EXOPEPTIDASE ADENOSINE BINDING DRDESIGN COMPLEX STRUCTURE HYDROLASE
Ref.: AMINOMETHYLPYRIMIDINES AS NOVEL DPP-IV INHIBITORS: 10(5)-FOLD ACTIVITY INCREASE BY OPTIMIZATION OF ARO SUBSTITUENTS BIOORG.MED.CHEM.LETT. V. 14 1491 2004
Members (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3SWW Ki = 4 nM KXB C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
2 1X70 ic50 = 18 nM 715 C16 H15 F6 N5 O c1c(c(cc(c....
3 1WCY - ILE PRO ILE n/a n/a
4 3NOX Ki = 2.2 nM 6A5 C19 H19 Cl2 N5 O2 Cc1c(c(n2c....
5 2QOE ic50 = 25 nM 448 C17 H17 F6 N5 O C[C@@H]1c2....
6 3C45 ic50 = 0.00021 uM 317 C21 H25 Cl F N3 O3 S CS(=O)(=O)....
7 3F8S ic50 = 12.9 nM PF2 C17 H24 F2 N6 O c1cnc(nc1)....
8 2IIV ic50 = 6.6 nM 565 C16 H20 F3 N3 O2 C[C@@H]1C(....
9 3VJK ic50 = 0.37 nM M51 C22 H30 N6 O S Cc1cc(n(n1....
10 2HHA ic50 = 0.122 uM 3TP C17 H22 N4 O4 S C[C@H](c1n....
11 2P8S ic50 = 21 nM 417 C18 H19 F6 N5 c1c(c(cc(c....
12 3G0B ic50 = 0.007 uM T22 C18 H21 N5 O2 CN1C(=O)C=....
13 2FJP ic50 = 4.3 nM S14 C22 H25 F N6 O2 CN(C)C(=O)....
14 2OPH ic50 = 0.016 uM 277 C17 H30 F N3 O2 C[C@@H](C1....
15 3VJL ic50 = 5.6 nM W94 C23 H28 F3 N5 O S c1ccc(cc1)....
16 2QJR ic50 = 6.4 nM PZF C20 H18 F3 N5 O COc1ccc(cn....
17 3G0G ic50 = 0.005 uM RUM C17 H18 Br N5 O c1ccc(c(c1....
18 3CCB ic50 = 30 uM B2Y C13 H13 N c1ccc(cc1)....
19 3VJM ic50 = 0.37 nM W61 C22 H26 F3 N5 O S c1ccc2c(c1....
20 5T4E ic50 = 4376 nM 75L C27 H31 N9 O CC#CCn1c2c....
21 4N8E ic50 = 0.02 uM 2KV C18 H25 Cl N2 O c1cc(cc(c1....
22 3KWF ic50 = 6.8 nM B1Q C20 H28 F N3 O3 COc1cc2c(c....
23 4LKO Ki = 8.3 nM 1WH C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
24 5KBY Ki = 61 nM 6RL C18 H20 F N5 O2 CN1C(=O)C=....
25 3G0D ic50 ~ 5 nM XIH C20 H23 N7 O2 CN1c2c(n(c....
26 2IIT ic50 = 2.6 nM 872 C17 H19 F6 N3 O2 c1c(c(cc(c....
27 3HAB ic50 = 0.0042 uM 677 C18 H16 F3 N3 O2 S CS(=O)(=O)....
28 4N8D ic50 = 11.9 uM 2KS C22 H27 N O c1ccc(cc1)....
29 3D4L ic50 = 32 nM 605 C21 H18 F2 N2 O c1cc(cc(c1....
30 4JH0 Ki = 0.94 nM 1MD C19 H20 Cl2 N4 O2 Cc1c(c(c2c....
31 2QTB ic50 = 4.8 nM 474 C22 H30 F2 N6 O2 CN(C)C(=O)....
32 2OGZ ic50 = 84 nM U1N C19 H21 F N2 O2 C[C@H](CCc....
33 1R9N - TYR PRO SER LYS PRO ASP ASN PRO GLY GLU n/a n/a
34 4A5S ic50 = 17 nM N7F C29 H27 N7 O c1ccc(cc1)....
35 4PNZ - 2VH C17 H19 F3 N4 O3 S CS(=O)(=O)....
36 2OLE ic50 = 70 nM KR2 C22 H24 F3 N3 O2 c1ccc(cc1)....
37 2OAG Ki = 3.4 nM DLI C21 H19 F3 N4 O2 S CS(=O)(=O)....
38 1RWQ ic50 = 0.0001 uM 5AP C19 H18 Cl2 N4 O2 COc1cc(cc(....
39 2QT9 ic50 = 0.0023 uM 524 C22 H31 F N6 O2 CN(C)C(=O)....
40 5T4F ic50 = 10 nM 75M C24 H24 N8 O CC#CCn1c2c....
41 3C43 ic50 = 0.019 uM 315 C20 H28 F2 N4 O4 S CS(=O)(=O)....
42 5T4B ic50 = 0.42 nM 75N C26 H27 N9 O CC#CCn1c2c....
43 5I7U ic50 = 1.7 nM 6AJ C21 H21 F N8 O2 CN1C(=O)CN....
44 3HAC ic50 = 0.0083 uM 361 C16 H13 F3 N4 c1cncc2c1n....
45 3EIO ic50 = 223 nM AJH C23 H24 F3 N3 O4 c1cc(ccc1C....
46 1N1M Ki = 2 uM A3M C9 H18 N2 O CC(C)[C@@H....
47 5ISM ic50 = 0.7 nM 6DG C19 H19 F2 N5 O c1cnc2c3c(....
48 2BGR Ki = 250 uM MET ASP PRO VAL ASP PRO ASN ILE GLU n/a n/a
70% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3SWW Ki = 4 nM KXB C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
2 1X70 ic50 = 18 nM 715 C16 H15 F6 N5 O c1c(c(cc(c....
3 1WCY - ILE PRO ILE n/a n/a
4 3NOX Ki = 2.2 nM 6A5 C19 H19 Cl2 N5 O2 Cc1c(c(n2c....
5 2QOE ic50 = 25 nM 448 C17 H17 F6 N5 O C[C@@H]1c2....
6 3C45 ic50 = 0.00021 uM 317 C21 H25 Cl F N3 O3 S CS(=O)(=O)....
7 3F8S ic50 = 12.9 nM PF2 C17 H24 F2 N6 O c1cnc(nc1)....
8 2IIV ic50 = 6.6 nM 565 C16 H20 F3 N3 O2 C[C@@H]1C(....
9 3VJK ic50 = 0.37 nM M51 C22 H30 N6 O S Cc1cc(n(n1....
10 2HHA ic50 = 0.122 uM 3TP C17 H22 N4 O4 S C[C@H](c1n....
11 2P8S ic50 = 21 nM 417 C18 H19 F6 N5 c1c(c(cc(c....
12 3G0B ic50 = 0.007 uM T22 C18 H21 N5 O2 CN1C(=O)C=....
13 2FJP ic50 = 4.3 nM S14 C22 H25 F N6 O2 CN(C)C(=O)....
14 2OPH ic50 = 0.016 uM 277 C17 H30 F N3 O2 C[C@@H](C1....
15 3VJL ic50 = 5.6 nM W94 C23 H28 F3 N5 O S c1ccc(cc1)....
16 2QJR ic50 = 6.4 nM PZF C20 H18 F3 N5 O COc1ccc(cn....
17 3G0G ic50 = 0.005 uM RUM C17 H18 Br N5 O c1ccc(c(c1....
18 3CCB ic50 = 30 uM B2Y C13 H13 N c1ccc(cc1)....
19 3VJM ic50 = 0.37 nM W61 C22 H26 F3 N5 O S c1ccc2c(c1....
20 5T4E ic50 = 4376 nM 75L C27 H31 N9 O CC#CCn1c2c....
21 4N8E ic50 = 0.02 uM 2KV C18 H25 Cl N2 O c1cc(cc(c1....
22 3KWF ic50 = 6.8 nM B1Q C20 H28 F N3 O3 COc1cc2c(c....
23 4LKO Ki = 8.3 nM 1WH C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
24 5KBY Ki = 61 nM 6RL C18 H20 F N5 O2 CN1C(=O)C=....
25 3G0D ic50 ~ 5 nM XIH C20 H23 N7 O2 CN1c2c(n(c....
26 2IIT ic50 = 2.6 nM 872 C17 H19 F6 N3 O2 c1c(c(cc(c....
27 3HAB ic50 = 0.0042 uM 677 C18 H16 F3 N3 O2 S CS(=O)(=O)....
28 4N8D ic50 = 11.9 uM 2KS C22 H27 N O c1ccc(cc1)....
29 3D4L ic50 = 32 nM 605 C21 H18 F2 N2 O c1cc(cc(c1....
30 4JH0 Ki = 0.94 nM 1MD C19 H20 Cl2 N4 O2 Cc1c(c(c2c....
31 2QTB ic50 = 4.8 nM 474 C22 H30 F2 N6 O2 CN(C)C(=O)....
32 2OGZ ic50 = 84 nM U1N C19 H21 F N2 O2 C[C@H](CCc....
33 1R9N - TYR PRO SER LYS PRO ASP ASN PRO GLY GLU n/a n/a
34 4A5S ic50 = 17 nM N7F C29 H27 N7 O c1ccc(cc1)....
35 4PNZ - 2VH C17 H19 F3 N4 O3 S CS(=O)(=O)....
36 2OLE ic50 = 70 nM KR2 C22 H24 F3 N3 O2 c1ccc(cc1)....
37 2OAG Ki = 3.4 nM DLI C21 H19 F3 N4 O2 S CS(=O)(=O)....
38 1RWQ ic50 = 0.0001 uM 5AP C19 H18 Cl2 N4 O2 COc1cc(cc(....
39 2QT9 ic50 = 0.0023 uM 524 C22 H31 F N6 O2 CN(C)C(=O)....
40 5T4F ic50 = 10 nM 75M C24 H24 N8 O CC#CCn1c2c....
41 3C43 ic50 = 0.019 uM 315 C20 H28 F2 N4 O4 S CS(=O)(=O)....
42 5T4B ic50 = 0.42 nM 75N C26 H27 N9 O CC#CCn1c2c....
43 5I7U ic50 = 1.7 nM 6AJ C21 H21 F N8 O2 CN1C(=O)CN....
44 3HAC ic50 = 0.0083 uM 361 C16 H13 F3 N4 c1cncc2c1n....
45 3EIO ic50 = 223 nM AJH C23 H24 F3 N3 O4 c1cc(ccc1C....
46 1N1M Ki = 2 uM A3M C9 H18 N2 O CC(C)[C@@H....
47 5ISM ic50 = 0.7 nM 6DG C19 H19 F2 N5 O c1cnc2c3c(....
48 2BGR Ki = 250 uM MET ASP PRO VAL ASP PRO ASN ILE GLU n/a n/a
49 2AJ8 Ki = 638 nM SC3 C18 H23 N6 O2 CN1c2c(n(c....
50 5LLS - 6Z8 C19 H23 Br N6 O2 CN1c2c(n(c....
51 2BUC ic50 = 23 nM 008 C20 H22 F N3 O2 c1ccc2c(c1....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3SWW Ki = 4 nM KXB C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
2 1X70 ic50 = 18 nM 715 C16 H15 F6 N5 O c1c(c(cc(c....
3 1WCY - ILE PRO ILE n/a n/a
4 3NOX Ki = 2.2 nM 6A5 C19 H19 Cl2 N5 O2 Cc1c(c(n2c....
5 2QOE ic50 = 25 nM 448 C17 H17 F6 N5 O C[C@@H]1c2....
6 3C45 ic50 = 0.00021 uM 317 C21 H25 Cl F N3 O3 S CS(=O)(=O)....
7 3F8S ic50 = 12.9 nM PF2 C17 H24 F2 N6 O c1cnc(nc1)....
8 2IIV ic50 = 6.6 nM 565 C16 H20 F3 N3 O2 C[C@@H]1C(....
9 3VJK ic50 = 0.37 nM M51 C22 H30 N6 O S Cc1cc(n(n1....
10 2HHA ic50 = 0.122 uM 3TP C17 H22 N4 O4 S C[C@H](c1n....
11 2P8S ic50 = 21 nM 417 C18 H19 F6 N5 c1c(c(cc(c....
12 3G0B ic50 = 0.007 uM T22 C18 H21 N5 O2 CN1C(=O)C=....
13 2FJP ic50 = 4.3 nM S14 C22 H25 F N6 O2 CN(C)C(=O)....
14 2OPH ic50 = 0.016 uM 277 C17 H30 F N3 O2 C[C@@H](C1....
15 3VJL ic50 = 5.6 nM W94 C23 H28 F3 N5 O S c1ccc(cc1)....
16 2QJR ic50 = 6.4 nM PZF C20 H18 F3 N5 O COc1ccc(cn....
17 3G0G ic50 = 0.005 uM RUM C17 H18 Br N5 O c1ccc(c(c1....
18 3CCB ic50 = 30 uM B2Y C13 H13 N c1ccc(cc1)....
19 3VJM ic50 = 0.37 nM W61 C22 H26 F3 N5 O S c1ccc2c(c1....
20 5T4E ic50 = 4376 nM 75L C27 H31 N9 O CC#CCn1c2c....
21 4N8E ic50 = 0.02 uM 2KV C18 H25 Cl N2 O c1cc(cc(c1....
22 3KWF ic50 = 6.8 nM B1Q C20 H28 F N3 O3 COc1cc2c(c....
23 4LKO Ki = 8.3 nM 1WH C18 H19 Cl2 N3 O2 Cc1c(c(c2c....
24 5KBY Ki = 61 nM 6RL C18 H20 F N5 O2 CN1C(=O)C=....
25 3G0D ic50 ~ 5 nM XIH C20 H23 N7 O2 CN1c2c(n(c....
26 2IIT ic50 = 2.6 nM 872 C17 H19 F6 N3 O2 c1c(c(cc(c....
27 3HAB ic50 = 0.0042 uM 677 C18 H16 F3 N3 O2 S CS(=O)(=O)....
28 4N8D ic50 = 11.9 uM 2KS C22 H27 N O c1ccc(cc1)....
29 3D4L ic50 = 32 nM 605 C21 H18 F2 N2 O c1cc(cc(c1....
30 4JH0 Ki = 0.94 nM 1MD C19 H20 Cl2 N4 O2 Cc1c(c(c2c....
31 2QTB ic50 = 4.8 nM 474 C22 H30 F2 N6 O2 CN(C)C(=O)....
32 2OGZ ic50 = 84 nM U1N C19 H21 F N2 O2 C[C@H](CCc....
33 1R9N - TYR PRO SER LYS PRO ASP ASN PRO GLY GLU n/a n/a
34 4A5S ic50 = 17 nM N7F C29 H27 N7 O c1ccc(cc1)....
35 4PNZ - 2VH C17 H19 F3 N4 O3 S CS(=O)(=O)....
36 2OLE ic50 = 70 nM KR2 C22 H24 F3 N3 O2 c1ccc(cc1)....
37 2OAG Ki = 3.4 nM DLI C21 H19 F3 N4 O2 S CS(=O)(=O)....
38 1RWQ ic50 = 0.0001 uM 5AP C19 H18 Cl2 N4 O2 COc1cc(cc(....
39 2QT9 ic50 = 0.0023 uM 524 C22 H31 F N6 O2 CN(C)C(=O)....
40 5T4F ic50 = 10 nM 75M C24 H24 N8 O CC#CCn1c2c....
41 3C43 ic50 = 0.019 uM 315 C20 H28 F2 N4 O4 S CS(=O)(=O)....
42 5T4B ic50 = 0.42 nM 75N C26 H27 N9 O CC#CCn1c2c....
43 5I7U ic50 = 1.7 nM 6AJ C21 H21 F N8 O2 CN1C(=O)CN....
44 3HAC ic50 = 0.0083 uM 361 C16 H13 F3 N4 c1cncc2c1n....
45 3EIO ic50 = 223 nM AJH C23 H24 F3 N3 O4 c1cc(ccc1C....
46 1N1M Ki = 2 uM A3M C9 H18 N2 O CC(C)[C@@H....
47 5ISM ic50 = 0.7 nM 6DG C19 H19 F2 N5 O c1cnc2c3c(....
48 2BGR Ki = 250 uM MET ASP PRO VAL ASP PRO ASN ILE GLU n/a n/a
49 2AJ8 Ki = 638 nM SC3 C18 H23 N6 O2 CN1c2c(n(c....
50 5LLS - 6Z8 C19 H23 Br N6 O2 CN1c2c(n(c....
51 2BUC ic50 = 23 nM 008 C20 H22 F N3 O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR PRO SER LYS PRO ASP ASN PRO GLY GLU; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 1 1
2 GLU LYS PRO SER SER SER 0.574074 0.9
3 TYR PRO TYR 0.558824 0.822581
4 ARG VAL SER PRO SER THR SER TYR THR PRO 0.553719 0.904762
5 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.545455 0.923077
6 MAA LYS PRO PHE 0.535088 0.714286
7 TYR PRO PHE PHE NH2 0.530973 0.822581
8 TYR PRO LYS ARG ILE ALA 0.530303 0.760563
9 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.528455 0.885246
10 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.507246 0.794521
11 GLY SER ASP PRO PHE LYS 0.491935 0.933333
12 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.482014 0.818182
13 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.477987 0.848485
14 TYR SEP PRO THR SEP PRO SER 0.46875 0.867647
15 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.467105 0.808824
16 PRO THR SEP PRO SER TYR 0.463768 0.852941
17 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.463768 0.892308
18 SER SER TYR ARG ARG PRO VAL GLY ILE 0.459459 0.819444
19 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.458904 0.876923
20 LYS PRO HIS SER ASP 0.457364 0.888889
21 GLY THR SER SER PRO SER ALA ASP 0.455285 0.870968
22 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.452055 0.876923
23 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.451852 0.838235
24 SER SER CYS PRO LEU SER LYS 0.451613 0.8
25 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.448529 0.863636
26 PHE PRO ARG 0.448276 0.671642
27 ASN ASP TRP LEU LEU PRO SER TYR 0.448052 0.857143
28 LYS PRO LYS 0.447619 0.733333
29 SER SER PHE TYR PRO SEP ALA GLU GLY 0.443662 0.814286
30 VAL LYS PRO GLY 0.441441 0.746032
31 GLY SER ASP PRO TRP LYS 0.441176 0.904762
32 ARG PRO LYS PRO LEU VAL ASP PRO 0.440945 0.661972
33 PHE PRO THR LYS ASP VAL ALA LEU 0.440559 0.859375
34 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.440559 0.865672
35 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.437086 0.848485
36 DPN PRO ARG 0.435897 0.701493
37 GLN ASN TYR PRO ILE VAL GLN 0.434783 0.820895
38 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.434783 0.808219
39 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.433566 0.769231
40 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.433333 0.893939
41 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.432432 0.769231
42 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.431507 0.921875
43 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.42953 0.791667
44 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.42953 0.794118
45 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.428571 0.882353
46 ARG SER ALA SEP GLU PRO SER LEU 0.428571 0.701299
47 LYS ARG ARG ARG HIS PRO SER 0.427536 0.753623
48 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.424658 0.921875
49 PHE ASN ARG PRO VAL 0.424242 0.71831
50 DPN PRO DAR CYS NH2 0.424 0.676471
51 PHE SER ALA PTR PRO SER GLU GLU ASP 0.423841 0.842857
52 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.423841 0.907692
53 ARG PRO PRO LYS PRO ARG PRO ARG 0.423077 0.686567
54 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.42069 0.876923
55 LEU SER SER PRO VAL THR LYS SER PHE 0.41958 0.875
56 LYS THR PHE PRO PRO THR GLU PRO LYS 0.418919 0.903226
57 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.417808 0.75
58 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.417178 0.797297
59 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.415663 0.786667
60 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.415584 0.863636
61 N7P THR SEP PRO SER TYR SET 0.415493 0.805556
62 VAL PRO LEU ARG PRO MET THR TYR 0.414474 0.773333
63 DPN PRO DAR DTH NH2 0.414062 0.75
64 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.414013 0.826087
65 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.414013 0.802817
66 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.412903 0.826087
67 GLN MET PRO THR GLU ASP GLU TYR 0.412162 0.852941
68 LEU ASP PRO ARG 0.41129 0.661972
69 TYR TYR SER ILE ILE PRO HIS SER ILE 0.409396 0.855072
70 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.409396 0.855072
71 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.409091 0.819444
72 LYS ARG ARG ARG HIS PRO SER GLY 0.408451 0.797101
73 VAL TYR ILE HIS PRO PHE 0.406667 0.742857
74 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.406452 0.794118
75 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.40625 0.850746
76 DPN PRO DAR ILE NH2 0.403101 0.647887
77 GLU LEU PRO LEU VAL LYS ILE 0.402985 0.723077
78 MET TYR TRP TYR PRO TYR 0.402778 0.757143
79 PHE SER ASP PRO TRP GLY GLY 0.402685 0.890625
80 ALA ARG SER HIS SEP TYR PRO ALA 0.402516 0.74359
81 MET TRP ARG PRO TRP 0.401361 0.623377
82 LEU PRO PHE ASP LYS SER THR ILE MET 0.4 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RWQ; Ligand: 5AP; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 1rwq.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CW9 AMP 0.0125 0.4144 1.5873
2 4FFG 0U8 0.03564 0.40405 1.82927
3 3IVM ZPR 0.00007293 0.50454 2.4531
4 1LBT T80 0.005056 0.42599 2.83912
5 3T7V MD0 0.0463 0.40672 2.85714
6 3EQ9 X97 0.000975 0.46245 2.95775
7 2AZ3 CDP 0.03788 0.41153 3.04878
8 2CJZ PTR 0.0388 0.41277 3.93443
9 5FPE 3TR 0.008182 0.45313 4.13437
10 5LKC FUC GLA A2G 0.02159 0.41439 4.22078
11 2WZ5 MET 0.03991 0.40149 4.57516
12 1WM1 PTB 0.0294 0.40287 5.04732
13 1A8U BEZ 0.001398 0.49215 6.13718
14 1GT6 OLA 0.02347 0.40775 6.3197
15 5CXX FER 0.005391 0.44351 6.54545
16 1NX9 AIC 0.0325 0.41311 6.90184
17 1A8S PPI 0.0003872 0.52363 7.32601
18 2FKA BEF 0.03344 0.40808 7.75194
19 4IF4 BEF 0.04432 0.40533 8.17308
20 2BKL ZAH 0.0001217 0.52632 8.20144
21 3SAO DBH 0.03819 0.41376 9.375
22 1L5Y BEF 0.02968 0.41323 9.67742
23 3QM1 ZYC 0.02613 0.40882 13.5849
24 5F90 GLA GAL 0.02042 0.42703 14.1026
25 3IWD M2T 0.02725 0.4144 25.8065
Pocket No.: 2; Query (leader) PDB : 1RWQ; Ligand: 5AP; 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: 1rwq.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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