Structure of PDB 6u7l Chain A Binding Site BS01

Receptor Information
>6u7l Chain A (length=460) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPTAFYIKVHDTDNVAIIVNDNGLKAGTRFPDGLELIEHIPQGHKVALLD
IPANGEIIRYGEVIGYAVRAIPRGSWIDESMVVLPEAPPLHTLPLATKVP
EPLPPLEGYTFEGYRNADGSVGTKNLLGITTSVHCVAGVVDYVVKIIERD
LLPKYPNVDGVVGLNHLYGCGAPAAVVPIRTIHNISLNPNFGGEVMVIGK
HVGFQSMVEDILQIAERHLQKLNQRQRETCPASELVVGMQCGGSDAFSGV
TANPAVGYASDLLVRCGATVMFSEVTEVRDAIHLLTPRAVNEEVGKRLLE
EMEWYDNYLNGGLANVVEKALGSIAKSGKSAIVEVLSPGQRPTKRGLIYA
ATPASDFVCGTQQVASGITVQVFTTGRGTPYGLMAVPVIKMATRTELANR
WFDLMDINAGTIATGEETIEEVGWKLFHFILDVASGKKKTFSDQWGLHNQ
LAVFNPAPVT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6u7l Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u7l Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Q287 C288 E321 A417 D419
Binding residue
(residue number reindexed from 1)		Q240 C241 E274 A354 D356
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.42: galactarate dehydratase.
Gene Ontology
Molecular Function
GO:0008198 ferrous iron binding
GO:0008867 galactarate dehydratase activity
GO:0016829 lyase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0019698 D-galacturonate catabolic process
GO:0046392 galactarate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6u7l, PDBe:6u7l, PDBj:6u7l
PDBsum6u7l
PubMed31811683
UniProtP39829|GARD_ECOLI Galactarate dehydratase (L-threo-forming) (Gene Name=garD)

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