Structure of PDB 3thu Chain C Binding Site BS01

Receptor Information
>3thu Chain C (length=404) Species: 314266 (Sphingomonas sp. SKA58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMPKIIDAKVIITCPGRNFVTLKIMTDEGVYGLGDATLNGRELAVASYLT
DHVIPCLIGRDAHRIEDLWQYLYKGAYWRRGPVTMTAIAAVDMALWDIKG
KIAGLPVYQLLGGASREGVMVYGHANGTTIEDTVKVALDYQAQGYKAIRL
QCGVPGMASTYGVSKDKYFYEPADADLPTENIWNTSKYLRIVPELFKAAR
ESLGWDVHLLHDIHHRLTPIEAGRLGQDLEPYRPFWLEDATPAENQEAFR
LIRQHTTAPLAVGEIFNSIWDAKDLIQNQLIDYIRATVVHAGGITHLRRI
AALADLYQIRTGCHGATDLSPVCMAAALHFDLSVPNFGIQEYMRHMPETD
AVFPHAYTFADGMMHPGDQPGLGVDIDEDLAAGYEYKRAFLPVNRLEDGT
MFNW
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 chain3thu Chain C Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3thu Crystal structure of an enolase from sphingomonas sp. ska58 (efi target efi-501683) with bound mg
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D211 E237 E263
Binding residue
(residue number reindexed from 1)		D212 E238 E264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L37 E41 W77 G122 R148 Q150 Y160 D211 H213 E237 G262 E263 R284 T286 H313 E340 W403
Catalytic site (residue number reindexed from 1) L38 E42 W78 G123 R149 Q151 Y161 D212 H214 E238 G263 E264 R285 T287 H314 E341 W404
Enzyme Commision number 4.2.1.8: mannonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008927 mannonate dehydratase activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3thu, PDBe:3thu, PDBj:3thu
PDBsum3thu
PubMed
UniProtQ1NAJ2|MAND_SPHSS D-mannonate dehydratase (Gene Name=SKA58_08619)

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