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 J:1;
L:1;
K:1;
I:1;
 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
479.578 n/a O=C(N...
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 3 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 = 1.5 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 Ki = 56.2 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 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 = 1.5 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 Ki = 56.2 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 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 = 1.5 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 Ki = 56.2 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 (2D)
Ligand no: 1; Ligand: TYR PRO SER LYS PRO ASP ASN PRO GLY GLU; Similar ligands found: 48
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 1 1
2 TYR PRO TYR 0.6 0.836066
3 TYR PRO PHE PHE NH2 0.554455 0.866667
4 SER SER CYS PRO LEU SER LYS 0.550459 0.8125
5 TYR PRO LYS ARG ILE ALA 0.544715 0.782609
6 ARG VAL SER PRO SER THR SER TYR THR PRO 0.517544 0.903226
7 GLU TYR GLY PRO LYS TRP ASN LYS 0.504274 0.9
8 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.5 0.816901
9 PHE PRO ARG 0.495238 0.71875
10 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.484375 0.892308
11 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.47541 0.818182
12 GLU LYS PRO SER SER SER 0.472222 0.852459
13 LEU SER SER PRO VAL THR LYS SER PHE 0.451128 0.873016
14 SIN ALA ALA PRO LYS 0.45098 0.754098
15 TYR SEP PRO THR SEP PRO SER 0.45 0.852941
16 LYS PRO LYS 0.447917 0.779661
17 HIS HIS ALA SER PRO ARG LYS 0.445255 0.779412
18 SER THR SEP PRO THR PHE ASN LYS 0.443662 0.785714
19 DPN PRO DAR CYS NH2 0.443478 0.738462
20 DPN PRO ARG 0.440367 0.723077
21 MAA LYS PRO PHE 0.438596 0.786885
22 LYS PRO HIS SER ASP 0.434426 0.84375
23 DPN PRO DAR DTH NH2 0.432203 0.815385
24 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.426471 0.823529
25 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.425373 0.863636
26 VAL PRO TYR SER SER ALA GLN NAG 0.424242 0.828571
27 TYR TYR SER ILE ALA PRO HIS SER ILE 0.421429 0.84058
28 DPN PRO DAR ILE NH2 0.420168 0.691176
29 ACE PRO ALA PRO TYR 0.416667 0.796875
30 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.414966 0.876923
31 GLY SER ASP PRO PHE LYS 0.409836 0.885246
32 SER PRO LYS ARG ILE ALA 0.409836 0.75
33 ARG PRO PRO LYS PRO ARG PRO ARG 0.409836 0.707692
34 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.408451 0.788732
35 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.408163 0.838235
36 LYS ARG ARG ARG HIS PRO SER GLY 0.407407 0.794118
37 PHE PRO THR LYS ASP VAL ALA LEU 0.407143 0.830769
38 SER SER TYR ARG ARG PRO VAL GLY ILE 0.405594 0.816901
39 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.403727 0.848485
40 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.403101 0.8125
41 TYR TYR SER ILE ILE PRO HIS SER ILE 0.402878 0.84058
42 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.402878 0.80597
43 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.402778 0.876923
44 GLU GLU ASN ASP PRO ASP TYR 0.401709 0.870968
45 N7P THR SEP PRO SER TYR SET 0.401515 0.828571
46 ARG PRO MET THR TYR LYS GLY ALA LEU 0.401274 0.76
47 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.4 0.833333
48 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.4 0.848485
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR PRO SER LYS PRO ASP ASN PRO GLY GLU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RWQ; Ligand: 5AP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1rwq.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RWQ; Ligand: 5AP; Similar sites found with APoc: 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 Sequence Similarity
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