Structure of PDB 3ck5 Chain D Binding Site BS01

Receptor Information
>3ck5 Chain D (length=334) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIERVRTDLYRIPLDFELITVRIEDSDGATGLGYTYTVNHGGAAVATMVD
KDLRGCLLGADAEQIEKIWQSMWWRLHYAGRGGHATSAISAVDIALWDLK
GIRARTPLWKLFGGYDPVVPVYAGGIDLELPVADLKTQADRFLAGGFRAI
KMKVGRPDLKEDVDRVSALREHLGDSFPLMVDANMKWTVDGAIRAARALA
PFDLHWIEEPTIPDDLVGNARIVRESGHTIAGGENLHTLYDFHNAVRAGS
LTLPEPDVSNIGGYTTFRKVAALAEANNMLLTSHGVHDLTVHALASVPHR
TYMEAHMAVTDGCVSAPDRPGHGVVLDFERLGRL
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 chain3ck5 Chain D Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ck5 Crystal structure of a racemase from Streptomyces coelicolor A3(2) with bound magnesium.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D197 E223 E249
Binding residue
(residue number reindexed from 1)		D182 E208 E234
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T52 G139 K166 K168 D197 N199 I222 E223 I245 G248 E249 E270 D272 H299 G300 V301 Y317 E319
Catalytic site (residue number reindexed from 1) T37 G124 K151 K153 D182 N184 I207 E208 I230 G233 E234 E255 D257 H284 G285 V286 Y302 E304
Enzyme Commision number 5.5.1.25: 3,6-anhydro-L-galactonate cycloisomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process
GO:0019388 galactose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ck5, PDBe:3ck5, PDBj:3ck5
PDBsum3ck5
PubMed
UniProtQ9RKF7|ACI_STRCO 3,6-anhydro-alpha-L-galactonate cycloisomerase (Gene Name=SCO3480)

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