Structure of PDB 2vwt Chain A Binding Site BS01

Receptor Information
>2vwt Chain A (length=256) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHA
PNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVD
TAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLV
QVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIE
TSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQR
LAMFKS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2vwt Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vwt Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		E153 D179
Binding residue
(residue number reindexed from 1)		E153 D179
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H49 R74 D88 E153 D179
Catalytic site (residue number reindexed from 1) H49 R74 D88 E153 D179
Enzyme Commision number 4.1.2.53: 2-keto-3-deoxy-L-rhamnonate aldolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016151 nickel cation binding
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0061677 2-dehydro-3-deoxy-D-gluconate aldolase activity
GO:0106099 2-keto-3-deoxy-L-rhamnonate aldolase activity
Biological Process
GO:0034214 protein hexamerization
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:2vwt, PDBe:2vwt, PDBj:2vwt
PDBsum2vwt
PubMed18754683
UniProtP76469|RHMA_ECOLI 2-keto-3-deoxy-L-rhamnonate aldolase (Gene Name=rhmA)

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