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Receptor
PDB id Resolution Class Description Source Keywords
1NLU 1.3 Å EC: 3.4.21.100 PSEUDOMONAS SEDOLISIN (SERINE-CARBOXYL PROTEINASE) COMPLEXED MOLECULES OF PSEUDO-IODOTYROSTATIN PSEUDOMONAS SP. PSCP HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: TWO INHIBITOR MOLECULES BOUND IN THE ACTIVE SITE OF PSEUDOMONAS SEDOLISIN: A MODEL FOR THE BI-PRODUCT C FOLLOWING CLEAVAGE OF A PEPTIDE SUBSTRATE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 314 638 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
IVA PHI TYB B:1;
C:1;
Valid;
Valid;
none;
none;
submit data
522.383 n/a Ic1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NLU 1.3 Å EC: 3.4.21.100 PSEUDOMONAS SEDOLISIN (SERINE-CARBOXYL PROTEINASE) COMPLEXED MOLECULES OF PSEUDO-IODOTYROSTATIN PSEUDOMONAS SP. PSCP HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: TWO INHIBITOR MOLECULES BOUND IN THE ACTIVE SITE OF PSEUDOMONAS SEDOLISIN: A MODEL FOR THE BI-PRODUCT C FOLLOWING CLEAVAGE OF A PEPTIDE SUBSTRATE. BIOCHEM.BIOPHYS.RES.COMMUN. V. 314 638 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NLU - IVA PHI TYB n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NLU - IVA PHI TYB n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1NLU - IVA PHI TYB n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IVA PHI TYB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IVA PHI TYB 1 1
2 THR GLU ASP ASN ASP ASP ASP LEU TYR GLY 0.513889 0.744681
3 SER LYS TYR GLY LEU GLN ASP 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NLU; Ligand: IVA PHI TYB; Similar sites found with APoc: 44
This union binding pocket(no: 1) in the query (biounit: 1nlu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2BDG PBZ 1.34529
2 4YNU FAD 1.75131
3 3WOL VAL TYR 2.43243
4 1T32 OHH 2.67857
5 3VXE DPN PRO ARG 2.7027
6 1TMT DPN PRO ARG 2.7027
7 1XUJ BOZ 2.7027
8 1A2C 34H LEU PRJ OAR 2.7027
9 4AX9 N5N 2.72374
10 2ANM CDO 2.72374
11 4SGA ACE PRO ALA PRO PHE 2.76243
12 3R75 PYR 2.97297
13 4OHU NAD 3.11419
14 4OHU 2TK 3.11419
15 4RYD 2UE ARG TBG ARG 00S 3.51351
16 3N7O N7O 3.53982
17 3IHB GLU 3.78378
18 6F5W KG1 3.79404
19 2G36 TRP 3.82353
20 2GZ3 NAP 3.82514
21 5LXT 7AK 4.05405
22 5LXT GDP 4.05405
23 4HSU FAD 4.05405
24 1I7E IBS 4.5283
25 1IAU ACE ILE GLU PRO ASJ 4.59459
26 1NHX FTB 4.86486
27 1NHX PEP 4.86486
28 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 4.93274
29 1MVQ MMA 5.08475
30 3W6X HZP 5.24017
31 1P7W PRO ALA PRO PHE ALA SER ALA 5.37634
32 1B74 DGN 5.90551
33 1GJC 130 6.32411
34 2Z49 AMG 7.02703
35 5ZHO A2G GLA FUC 8.02469
36 1O9P MLA 8.9372
37 2GUD MAN 9.01639
38 2GUC MAN 9.01639
39 2NUO BGC 9.01639
40 2HYR BGC GLC 9.01639
41 2NU5 NAG 9.01639
42 2BQP GLC 10.6838
43 2B6N ALA PRO THR 14.0288
44 2OUA AES 15.9574
Pocket No.: 2; Query (leader) PDB : 1NLU; Ligand: IVA PHI TYB; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 1nlu.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2R14 TXD 1.62162
2 2R14 FMN 1.62162
3 4OEV OXL 1.89189
4 1JIL 485 2.16216
5 2FN1 PYR 2.16216
6 4J75 TYM 2.16216
7 3FKQ ATP 2.16216
8 4NJH SAM 2.17391
9 4NJH 2K8 2.17391
10 1U7Z PMT 2.21239
11 6FNU FAD 2.27273
12 5EPO NAP 2.29008
13 5FA6 FAD 2.7027
14 2Q3O FMN 2.7027
15 3Q9T FAY 2.7027
16 4EN4 ATP 2.88462
17 4EN4 GT1 2.88462
18 2QTR NXX 3.1746
19 2RCU BUJ 3.24324
20 2PT9 2MH 3.51351
21 5NUE NAD 3.61446
22 1I7Q PYR 3.62694
23 2IVD FAD 3.78378
24 4N6H EJ4 3.78378
25 5G6U YJM 3.83142
26 3P7G MAN 4.10959
27 3ZL8 ADP 4.80549
28 1QZY TDE 4.86486
29 6EHH 2GE 5.11364
30 1GZ6 NAI 5.64263
31 3TAY MN0 5.94595
32 1RDL MMA 6.19469
33 6FCX FAD 6.21622
34 5DUF G7A 8.36502
35 2PID YSA 8.42697
36 2AZC 3TL 9.09091
37 3G2Y GF4 10.2662
38 3UEC ALA ARG TPO LYS 10.274
39 5TQZ GLC 24.6667
40 3CM2 X23 29.2308
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