Structure of PDB 1iom Chain A Binding Site BS01

Receptor Information
>1iom Chain A (length=374) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VARGLEGVLFTESRMCYIDGQQGKLYYYGIPIQELAEKSSFEETTFLLLH
GRLPRRQELEEFSAALARRRALPAHLLESFKRYPVSAHPMSFLRTAVSEF
GMLDPTEGDISREALYEKGLDLIAKFATIVAANKRLKEGKEPIPPREDLS
HAANFLYMANGVEPSPEQARLMDAALILHAEHGFNASTFTAIAAFSTETD
LYSAITAAVASLKGPRHGGANEAVMRMIQEIGTPERAREWVREKLAKKER
IMGMGHRVYKAFDPRAGVLEKLARLVAEKHGHSKEYQILKIVEEEAGKVL
NPRGIYPNVDFYSGVVYSDLGFSLEFFTPIFAVARISGWVGHILEYQELD
NRLLRPGAKYVGELDVPYVPLEAR
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain1iom 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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PDB1iom Structural comparison between the open and closed forms of citrate synthase from Thermus thermophilus HB8.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H184 N187 H219 R337
Binding residue
(residue number reindexed from 1)		H182 N185 H217 R335
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S189 H219 H258 R267 D312
Catalytic site (residue number reindexed from 1) S187 H217 H256 R265 D310
Enzyme Commision number 2.3.3.16: citrate synthase (unknown stereospecificity).
Gene Ontology
Molecular Function
GO:0004108 citrate (Si)-synthase activity
GO:0016740 transferase activity
GO:0036440 citrate synthase activity
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006099 tricarboxylic acid cycle
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:1iom, PDBe:1iom, PDBj:1iom
PDBsum1iom
PubMed27493854
UniProtQ5SIM6

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