Structure of PDB 7lgp Chain A Binding Site BS01

Receptor Information
>7lgp Chain A (length=374) Species: 198214 (Shigella flexneri 2a str. 301) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCPVIELTQQLIRRPSLSPDDAGCQALLIERLQAIGFTVERMDFADTQNF
WAWRGQGETLAFAGHTDVVPPGDADRWINPPFEPTIRDGMLFGRGAADMK
GSLAAMVVAAERFVAQHPNHTGRLAFLITSDEEASAHNGTVKVVEALMAR
NERLDYCLVGEPSSIEVVGDVVKNGRRGSLTCNLTIHGVQGHVAYPHLAD
NPVHRAAPFLNELVAIEWDQGNEFFPATSMQIANIQAGTGSNNVIPGELF
VQFNFRFSTELTDEMIKAQVLALLEKHQLRYTVDWWLSGQPFLTARGKLV
DAVVNAVEHYNEIKPQLLTTGGTSDGRFIARMGAQVVELGPVNATIHKIN
ECVNAADLQLLARMYQRIMEQLVA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7lgp Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7lgp DapE enzyme from Shigella flexneri
Resolution1.91 Å
Binding residue
(original residue number in PDB)		H66 D99 E162
Binding residue
(residue number reindexed from 1)		H65 D98 E161
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.18: succinyl-diaminopimelate desuccinylase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0009014 succinyl-diaminopimelate desuccinylase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7lgp, PDBe:7lgp, PDBj:7lgp
PDBsum7lgp
PubMed
UniProtP0AED8|DAPE_SHIFL Succinyl-diaminopimelate desuccinylase (Gene Name=dapE)

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