Structure of PDB 7t1q Chain B Binding Site BS01

Receptor Information
>7t1q Chain B (length=375) Species: 400667 (Acinetobacter baumannii ATCC 17978) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDTLSLSLELLQQPSVTPIDHTCQTIMADRLAKVGFHIEPMRFGDVDNLW
ARRGTEGPVFCFAGHTDVVPTGRLDAWNSDPFAPEIRDGKLYGRGSADMK
TALAAMVVASERFVAKHPNHKGSIAFLITSDEEGPAVNGTVKVIETLEKR
NEKITWCLVGEPSSTHKLGDIVKNGRRGSLNAVLKVQGKQGHVAYPHLAR
NPIHEASPALAELCQTVWDNGNEYFPATSFQISNIHAGTGATNVIPGALE
VTFNFRYSTEVTAEQLKQRVHEILDKHGLQYEIVWNLSGLPFLTPVGELV
NAAQTAILNVTGTETELSTSGGTSDGRFIAPTGAQVLELGVLNATIHQIN
EHVDVHDLDPLTDIYEQILENLLAQ
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 chain7t1q Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t1q Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic Acid.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H68 D101 E164
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:7t1q, PDBe:7t1q, PDBj:7t1q
PDBsum7t1q
PubMed
UniProtA3M8H2|DAPE_ACIBT Succinyl-diaminopimelate desuccinylase (Gene Name=dapE)

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