Structure of PDB 1xbu Chain A Binding Site BS04

Receptor Information
>1xbu Chain A (length=275) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETEGR
SDHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSCDS
LSNINDTALDRNSDAAAHAIWTLSS
Ligand information
Ligand IDIOY
InChIInChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyPZNQZSRPDOEBMS-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(I)cc1)C(O)=O
CACTVS 3.341N[C@H](Cc1ccc(I)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)I
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@H](C(=O)O)N)I
ACDLabs 10.04Ic1ccc(cc1)CC(C(=O)O)N
FormulaC9 H10 I N O2
NameP-IODO-D-PHENYLALANINE;
4-IODOPHENYLALANINE
ChEMBLCHEMBL1233638
DrugBankDB04713
ZINCZINC000003679925
PDB chain1xbu Chain A Residue 913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xbu Streptomyces griseus aminopeptidase complexed with p-iodo-D-phenylalanine
Resolution1.2 Å
Binding residue
(original residue number in PDB)		H85 D97 E131 E132 D160 M161 Y172 E196 F219 Y246 H247
Binding residue
(residue number reindexed from 1)		H85 D97 E131 E132 D160 M161 Y172 E196 F217 Y244 H245
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N77 D97 E131 E132 D160
Catalytic site (residue number reindexed from 1) N77 D97 E131 E132 D160
Enzyme Commision number 3.4.11.24: aminopeptidase S.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008235 metalloexopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1xbu, PDBe:1xbu, PDBj:1xbu
PDBsum1xbu
PubMed
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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