Structure of PDB 5uej Chain A Binding Site BS01

Receptor Information
>5uej Chain A (length=375) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETQSLELAKELISRPSVTPDDRDCQKLLAERLHKIGFAAEELHFGDTKNI
WLRRGTKAPVVCFAGHTDVVPTGPVEKWDSPPFEPAERDGRLYGRGAADM
KTSIACFVTACERFVAKHPNHQGSIALLITSDEEGDALDGTTKVVDVLKA
RDELIDYCIVGEPTAVDKLGDMIKNGRRGSLSGNLTVKGKQGHIAYPHLA
INPVHTFAPALLELTQEVWDEGNEYFPPTSFQISNINGGTGATNVIPGEL
NVKFNFRFSTESTEAGLKQRVHAILDKHGVQYDLQWSCSGQPFLTQAGKL
TDVARAAIAETCGIEAELSTTGGTSDGRFIKAIAQELIELGPSNATIHQI
NENVRLNDIPKLSAVYEGILARLLA
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 chain5uej Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5uej 1.30 A crystal structure of DapE enzyme from Neisseria meningitidis MC58
Resolution1.3 Å
Binding residue
(original residue number in PDB)		H68 D101 E164
Binding residue
(residue number reindexed from 1)		H66 D99 E162
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.18: succinyl-diaminopimelate desuccinylase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008777 acetylornithine deacetylase activity
GO:0009014 succinyl-diaminopimelate desuccinylase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5uej, PDBe:5uej, PDBj:5uej
PDBsum5uej
PubMed
UniProtQ9JYL2|DAPE_NEIMB Succinyl-diaminopimelate desuccinylase (Gene Name=dapE)

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