Structure of PDB 8pzm Chain A Binding Site BS01

Receptor Information
>8pzm Chain A (length=499) Species: 652611 (Pseudomonas aeruginosa PA14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQGGMEFLVKSVRPETLKTATLVLAVGEGRKLGASAKAVDDATGGAISAV
LKRGDLAGKVGQTLLLQSLPNLKAERVLLVGAGKERELGDRQYRKLASAV
LSTLKGLAGADAALALGDLAVKGRGAHAKARLLVETLADGLYVFDRYKSQ
KAEPLKLKKLTLLADKADSAAVEQGSKEAQAIANGMALTRDLGNLPPNVC
HPTFLGEQAKGLAKEFKSLKVEVLDEKKLRELGMGSFLAVAQGSDQPPRL
IILQYNGAKKDQAPHVLVGKGITFDTGGISLKPGLGMDEMKFDMCGAASV
FGTFRAVLELQLPINLVGLLACAENMPSGGATRPGDIVTTMSGQTVEILN
TDAEGRLVLCDALTYAERFKPQSVIDIATLTGACIVALGSNTSGLMGNNE
ALVRQLLKAGEFADDRAWQLPLFDEYQEQLDSPFADIANIGGPKAGTITA
GCFLSRFAKKYHWAHLDIAGTAWISGGKDKGATGRPVPLLTQYLLERAK
Ligand information
Ligand IDBES
InChIInChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
InChIKeyVGGGPCQERPFHOB-RDBSUJKOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O
CACTVS 3.341CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)NC(=O)C(C(Cc1ccccc1)N)O
CACTVS 3.341CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O
FormulaC16 H24 N2 O4
Name2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID;
BESTATIN
ChEMBLCHEMBL29292
DrugBankDB03424
ZINCZINC000001542895
PDB chain8pzm Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pzm Unveiling the Catalytic Mechanism of a Processive Metalloaminopeptidase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K287 D292 M307 D310 D369 E371 T396 L397 T398 W490
Binding residue
(residue number reindexed from 1)		K270 D275 M290 D293 D352 E354 T379 L380 T381 W473
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.11.1: leucyl aminopeptidase.
3.4.11.10: bacterial leucyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008235 metalloexopeptidase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0019538 protein metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8pzm, PDBe:8pzm, PDBj:8pzm
PDBsum8pzm
PubMed37924287
UniProtQ02RY8|AMPA_PSEAB Probable cytosol aminopeptidase (Gene Name=pepA)

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