Structure of PDB 5uzw Chain C Binding Site BS02

Receptor Information
>5uzw Chain C (length=697) Species: 39387 (Gypsophila vaccaria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFSKPLHYPPVRRDETVVDDYFGVKVADPYRWLEDPNSEETKEFVDNQEK
LANSVLEECELIDKFKQKIIDFVNFPRCGVPFRRANKYFHFYNSGLQAQN
VFQMQDDLDGKPEVLYDPNLREGGRSGLSLYSVSEDAKYFAFGIHSGLTE
WVTIKILKTEDRSYLPDTLEWVKFSPAIWTHDNKGFFYCPYPPVNQEARY
HFLGTDQSEDILLWRDLENPAHHLKCQITDDGKYFLLYILDGCDDANKVY
CLDLTKLPNGLESFRAPFMKLIDSFDASYTAIANDGSVFTFQTNKDAPRK
KLVRVDLNNPSVWTDLVPESKKDLLESAHAVNENQLILRYLSDVKHVLEI
RDLESGALQHRLPIDIGSVDGITARRRDSVVFFKFTSILTPGIVYQCDLK
NDPTQLKIFRESVVPDFDRSEFEVKQVFVPSKDGTKIPIFIAARKGISLD
GSHPCEMHGYGGFGINMMPTFSASRIVFLKHLGGVFCLANIRGGGEYGEE
WHKAGFRDKKQNVFDDFISAAEYLISSGYTKARRVAIEGGSNGGLLVAAC
INQRPDLFGCAEANCGVMDMLRFHKFTLGYLWTGDYGCSDKEEEFKWLIK
YSPIHNVRRPWEQPGNEETQYPATMILTADHDDRVVPLHSFKLLATMQHV
LCTSLEDSPQKNPIIARIQRGRATMTQIAEVADRYGFMAKALEAPWI
Ligand information
Ligand IDZPR
InChIInChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
InChIKeyORZXYSPOAVJYRU-HOTGVXAUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O
CACTVS 3.341O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3
CACTVS 3.341O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O
ACDLabs 10.04O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
FormulaC18 H22 N2 O4
NameN-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL;
Z-PRO-PROLINAL
ChEMBLCHEMBL79993
DrugBankDB03535
ZINCZINC000003803443
PDB chain5uzw Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uzw Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		H239 Y481 F484 S562 N563 W603
Binding residue
(residue number reindexed from 1)		H223 Y460 F463 S541 N542 W582
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y481 S562 D653
Catalytic site (residue number reindexed from 1) Y460 S541 D632
Enzyme Commision number 3.4.21.-
3.4.21.26: prolyl oligopeptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0046872 metal ion binding
GO:0070012 oligopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5uzw, PDBe:5uzw, PDBj:5uzw
PDBsum5uzw
PubMed28584123
UniProtR4P353

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