Structure of PDB 1lfw Chain A Binding Site BS03

Receptor Information
>1lfw Chain A (length=468) Species: 29397 (Lactobacillus delbrueckii subsp. lactis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDLNFKELAEAKKDAILKDLEELIAIDSSEDLENATEEYPVGKGPVDAMT
KFLSFAKRDGFDTENFANYAGRVNFGAGDKRLGIIGHMDVVPAGEGWTRD
PFKMEIDEEGRIYGRGSADDKGPSLTAYYGMLLLKEAGFKPKKKIDFVLG
TNEETNWVGIDYYLKHEPTPDIVFSPDAEYPIINGEQGIFTLEFSFKNDD
TKGDYVLDKFKAGIATNVTPQVTRATISGPDLEAVKLAYESFLADKELDG
SFEINDESADIVLIGQGAHASAPQVGKNSATFLALFLDQYAFAGRDKNFL
HFLAEVEHEDFYGKKLGIFHHDDLMGDLASSPSMFDYEHAGKASLLNNVR
YPQGTDPDTMIKQVLDKFSGILDVTYNGFEEPHYVPGSDPMVQTLLKVYE
KQTGKPGHEVVIGGGTYGRLFERGVAFGAQPENGPMVMHAANEFMMLDDL
ILSIAIYAEAIYELTKDE
Ligand information
Ligand IDAEP
InChIInChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m1/s1
InChIKeyNJOTXUMMTTYQMQ-RFZPGFLSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CP(=O)(C(CC(=O)O)N)O)C(=O)O
CACTVS 3.341C[C@H](C[P](O)(=O)[C@@H](N)CC(O)=O)C(O)=O
ACDLabs 10.04O=P(O)(CC(C(=O)O)C)C(N)CC(=O)O
CACTVS 3.341C[CH](C[P](O)(=O)[CH](N)CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O
FormulaC7 H14 N O6 P
Name3-[(1-AMINO-2-CARBOXY-ETHYL)-HYDROXY-PHOSPHINOYL]-2-METHYL-PROPIONIC ACID
ChEMBL
DrugBankDB03340
ZINCZINC000002047801
PDB chain1lfw Chain A Residue 683 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lfw Crystal Structure of the Dinuclear Zinc Aminopeptidase PepV from Lactobacillus delbrueckii Unravels Its Preference for Dipeptides
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H87 D119 E153 E154 D177 N217 H269 R350 G414 G415 M438 H439
Binding residue
(residue number reindexed from 1)		H87 D119 E153 E154 D177 N217 H269 R350 G414 G415 M438 H439
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H87 D119 E153 E154
Catalytic site (residue number reindexed from 1) H87 D119 E153 E154
Enzyme Commision number 3.4.13.-
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016805 dipeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
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:1lfw, PDBe:1lfw, PDBj:1lfw
PDBsum1lfw
PubMed12176387
UniProtP45494|PEPV_LACDL Beta-Ala-Xaa dipeptidase (Gene Name=pepV)

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