Structure of PDB 7twc Chain A Binding Site BS01

Receptor Information
>7twc Chain A (length=416) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMASLHIDDIPAAIKAVKQQLRQALPDYQQVFQAVEENIRQQVMEIRRN
LAEGKNPVPQLHADDIINGKVTEEQKAQIKQRGCCAILGVFPQEKATAWN
REIGDYLDRNNFVERLKNAAEDNYFGTLAASKPQIYGIYWSTPQVEARQD
KRMQAVQIFLNNLWQTESNGKQHFDANRVVTYADRTRRRPPKSSSLGLSP
HVDGGSIERWLDENFRHVYRHVFSGQWQKYDPFAAEGRPEVREFPSPAVC
SMFRTFQGWTALTPQRTHAGTLNVIPIANAMAYILLRALQDDVADDDLCG
AAPGRALSASEQWHPLLMEAISPIPDLEAGDTVFWHCDVIHSVENEHNGE
FDSNVMYIAAAPWCEKNAAYLPRQLASFIDGRSPPDFAADDFEVDFIGRA
TIKNLTEIGKQQLGIT
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 chain7twc Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7twc Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to CAPS
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H200 D202 H340
Binding residue
(residue number reindexed from 1)		H201 D203 H341
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7twc, PDBe:7twc, PDBj:7twc
PDBsum7twc
PubMed
UniProtA0A2U2H2N4

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