Structure of PDB 4y90 Chain C Binding Site BS01

Receptor Information
>4y90 Chain C (length=244) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQTLLALNWKMNKTPTEARSWAEELTTKYAPAEGVDLAVLAPALDLSALA
ANLPAGIAFGGQDVSAHESGAYTGEISAAMLKDAGASCVVVGHSERREYH
DESDATVAAKARQAQANGLLPIVCVGENLDVRERGEHVPQTLAQLRGSLE
GVGADVVVAYEPVWAIGTGKTATADDAEELAAAIRGALREQYGARAEGIR
VLYGGSVKPENIAEICGKPNVNGALVGGASLKVPDVLGMLDALR
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 chain4y90 Chain C Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4y90 Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E78 K113
Binding residue
(residue number reindexed from 1)		E75 K110
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N11 K13 H96 E98 E164 G170 S209
Catalytic site (residue number reindexed from 1) N8 K10 H93 E95 E161 G167 S206
Enzyme Commision number 5.3.1.1: triose-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004807 triose-phosphate isomerase activity
GO:0016853 isomerase activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0019563 glycerol catabolic process
GO:0046166 glyceraldehyde-3-phosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4y90, PDBe:4y90, PDBj:4y90
PDBsum4y90
PubMed26206330
UniProtQ9RUP5|TPIS_DEIRA Triosephosphate isomerase (Gene Name=tpiA)

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