Structure of PDB 1cp6 Chain A Binding Site BS03

Receptor Information
>1cp6 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 IDBUB
InChIInChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
InChIKeyQPKFVRWIISEVCW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OB(O)CCCC
OpenEye OEToolkits 1.7.6B(CCCC)(O)O
CACTVS 3.385CCCCB(O)O
FormulaC4 H11 B O2
Name1-BUTANE BORONIC ACID
ChEMBLCHEMBL31962
DrugBankDB02664
ZINCZINC000169743048
PDB chain1cp6 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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PDB1cp6 1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E151 Y225 C227
Binding residue
(residue number reindexed from 1)		E151 Y225 C227
Annotation score1
Binding affinityMOAD: Ki=10uM
PDBbind-CN: -logKd/Ki=5.00,Ki=10uM
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:1cp6, PDBe:1cp6, PDBj:1cp6
PDBsum1cp6
PubMed10413478
UniProtQ01693|AMPX_VIBPR Bacterial leucyl aminopeptidase

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