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Structure of PDB 1ft7 Chain A Binding Site BS03

Receptor Information
>1ft7 Chain A (length=291) Species: 671 (Vibrio proteolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPITQQATVTAWLPQVDASQITGTISSLESFTNRFYTTTSGAQASDWIA
SEWQALSASLPNASVKQVSHSGYNQKSVVMTITGSEAPDEWIVIGGHLDS
TIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSENNFQPKRSIAFMAYAA
EEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVFITDYTDSN
FTQYLTQLMDEYLPSLTYGFDTCGYACSDHASWHNAGYPAAMPFESKFND
YNPRIHTTQDTLANSDPTGSHAKKFTQLGLAYAIEMGSATG
Ligand information
Ligand IDPLU
InChIInChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
InChIKeyHGCAUCAWEADMPM-RXMQYKEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)C[CH](N)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(C)C[C@H](N)P(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)CC(N)P(=O)(O)O
CACTVS 3.341CC(C)C[C@H](N)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(N)CC(C)C
FormulaC5 H14 N O3 P
NameLEUCINE PHOSPHONIC ACID
ChEMBLCHEMBL40422
DrugBankDB02386
ZINCZINC000002047807
PDB chain1ft7 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ft7 Inhibition of the aminopeptidase from Aeromonas proteolytica by L-leucinephosphonic acid. Spectroscopic and crystallographic characterization of the transition state of peptide hydrolysis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H97 D117 E151 E152 D179 C227
Binding residue
(residue number reindexed from 1)		H97 D117 E151 E152 D179 C227
Annotation score1
Binding affinityMOAD: Ki=6.6uM
PDBbind-CN: -logKd/Ki=5.18,Ki=6.6uM
Enzymatic activity
Catalytic site (original residue number in PDB) H97 D117 E151 E152 D179 H256
Catalytic site (residue number reindexed from 1) H97 D117 E151 E152 D179 H256
Enzyme Commision number 3.4.11.10: bacterial leucyl aminopeptidase.
Gene Ontology
Molecular Function
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:1ft7, PDBe:1ft7, PDBj:1ft7
PDBsum1ft7
PubMed11401547
UniProtQ01693|AMPX_VIBPR Bacterial leucyl aminopeptidase

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