Structure of PDB 3dx5 Chain A Binding Site BS01

Receptor Information
>3dx5 Chain A (length=274) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYSLCTISFRHQLISFTDIVQFAYENGFEGIELWGTHAQNLYMQEYETT
ERELNCLKDKTLEITMISDYLDISLSADFEKTIEKCEQLAILANWFKTNK
IRTFAGQKGSADFSQQERQEYVNRIRMICELFAQHNMYVLLETHPNTLTD
TLPSTLELLGEVDHPNLKINLDFLHIWESGADPVDSFQQLRPWIQHYHFK
NISSADYLHVFEPNNVYAAAGNRTGMVPLFEGIVNYDEIIQEVRDTDHFA
SLEWFGHNAKDILKAEMKVLTNRN
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3dx5 Chain A Residue 287 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dx5 Structural and functional analysis of AsbF: origin of the stealth 3,4-dihydroxybenzoic acid subunit for petrobactin biosynthesis.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		E142 D172 H198 E253
Binding residue
(residue number reindexed from 1)		E142 D172 H198 E253
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.118: 3-dehydroshikimate dehydratase.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0016829 lyase activity
GO:0046565 3-dehydroshikimate dehydratase activity
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
GO:0046279 3,4-dihydroxybenzoate biosynthetic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dx5, PDBe:3dx5, PDBj:3dx5
PDBsum3dx5
PubMed18955706
UniProtQ81RQ4|ASBF_BACAN 3-dehydroshikimate dehydratase (Gene Name=asbF)

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