Structure of PDB 3thu Chain A Binding Site BS01

Receptor Information
>3thu Chain A (length=405) Species: 314266 (Sphingomonas sp. SKA58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMMPKIIDAKVIITCPGRNFVTLKIMTDEGVYGLGDATLNGRELAVASYL
TDHVIPCLIGRDAHRIEDLWQYLYKGAYWRRGPVTMTAIAAVDMALWDIK
GKIAGLPVYQLLGGASREGVMVYGHANGTTIEDTVKVALDYQAQGYKAIR
LQCGVPGMASTYGVSKDKYFYEPADADLPTENIWNTSKYLRIVPELFKAA
RESLGWDVHLLHDIHHRLTPIEAGRLGQDLEPYRPFWLEDATPAENQEAF
RLIRQHTTAPLAVGEIFNSIWDAKDLIQNQLIDYIRATVVHAGGITHLRR
IAALADLYQIRTGCHGATDLSPVCMAAALHFDLSVPNFGIQEYMRHMPET
DAVFPHAYTFADGMMHPGDQPGLGVDIDEDLAAGYEYKRAFLPVNRLEDG
TMFNW
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 A 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)		D213 E239 E265
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) L39 E43 W79 G124 R150 Q152 Y162 D213 H215 E239 G264 E265 R286 T288 H315 E342 W405
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

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Molecular Function
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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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