Structure of PDB 7nup Chain B Binding Site BS02

Receptor Information
>7nup Chain B (length=907) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAFPVATNGERFPWQELRLPSVVIPLHYDLFVHPNLTSLDFVASEKIEVL
VSNATQFIILHSKDLEITNATLQSEEDSRYMKPGKELKVLSYPAHEQIAL
LVPEKLTPHLKYYVAMDFQAKLGDGFEGFYKSTYRTLGGETRILAVTDFE
PTQARMAFPCFDEPLFKANFSIKIRRESRHIALSNMPKVKTIELEGGLLE
DHFETTVKMSTYLVAYIVCDFHSLSGFTSSGVKVSIYASPDKRNQTHYAL
QASLKLLDFYEKYFDIYYPLSKLDLIAIPDFAPGAMENWGLITYRETSLL
FDPKTSSASDKLWVTRVIAHELAHQWFGNLVTMEWWNDIWLNEGFAKYME
LIAVNATYPELQFDDYFLNVCFEVITKDSLNSSRPISKPAETPTQIQEMF
DEVSYNKGACILNMLKDFLGEEKFQKGIIQYLKKFSYRNAKNDDLWSSLS
NSCLESDFTSGGVCHTSNMLAFLGENAEVKEMMTTWTLQKGIPLLVVKQD
GCSLRLQQERFLQGVFQEDPEWRALQERYLWHIPLTYSTSSSNVIHRHIL
KSKTDTLDLPEKTSWVKFNVDSNGYYIVHYEGHGWDQLITQLNQNHTLLR
PKDRVGLIHDVFQLVGAGRLTLDKALDMTYYLQHETSSPALLEGLSYLES
FYHMMDRRNISDISENLKRYLLQYFKPVIDRQSWSDKGSVWDRMLRSALL
KLACDLNHAPCIQKAAELFSQWMESSGKLNIPTDVLKIVYSVGAQTTAGW
NYLLEQYELSMSSAEQNKILYALSTSKHQEKLLKLIELGMEGKVIKTQNL
AALLHAIARRPKGQQLAWDFVRENWTHLLKKFDLGSYDIRMIISGTTAHF
SSKDKLQEVKLFFESLEAQGSHLDIFQTVLETITKNIKWLEKNLPTLRTW
LMVNTRH
Ligand information
Ligand IDUSK
InChIInChI=1S/C23H23N5O5S2/c29-20-8-6-16(7-9-20)12-18(13-22(30)26-31)28-19(14-24-27-28)15-25-35(32,33)23-11-10-21(34-23)17-4-2-1-3-5-17/h1-11,14,18,25,29,31H,12-13,15H2,(H,26,30)/t18-/m0/s1
InChIKeyYNJVRCJGXCXRMB-SFHVURJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3[C@@H](Cc4ccc(cc4)O)CC(=O)NO
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3C(Cc4ccc(cc4)O)CC(=O)NO
CACTVS 3.385ONC(=O)C[CH](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4
CACTVS 3.385ONC(=O)C[C@H](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4
FormulaC23 H23 N5 O5 S2
Name(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide
ChEMBL
DrugBank
ZINC
PDB chain7nup Chain B Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7nup Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G334 A335 E337 R345 H370 E371 H374 E393 K397 F450 Y455 Y892
Binding residue
(residue number reindexed from 1)		G284 A285 E287 R295 H320 E321 H324 E343 K347 F400 Y405 Y837
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.11.-
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0042277 peptide binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0002250 adaptive immune response
GO:0002474 antigen processing and presentation of peptide antigen via MHC class I
GO:0006508 proteolysis
GO:0008217 regulation of blood pressure
GO:0019885 antigen processing and presentation of endogenous peptide antigen via MHC class I
GO:0043171 peptide catabolic process
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7nup, PDBe:7nup, PDBj:7nup
PDBsum7nup
PubMed
UniProtQ6P179|ERAP2_HUMAN Endoplasmic reticulum aminopeptidase 2 (Gene Name=ERAP2)

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