Structure of PDB 3hka Chain C Binding Site BS01

Receptor Information
>3hka Chain C (length=411) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INSREVLAEKVKNAVNNQPVTDMHTHLFSPNFGEILLWDIDELLTYHYLV
AEVMRWTDVSIEAFWAMSKREQADLIWEELFIKRSPVSEACRGVLTCLQG
LGLDPATRDLQVYREYFAKKTSEEQVDTVLQLANVSDVVMTNDPFDDNER
ISWLEGKQPDSRFHAALRLDPLLNEYEQTKHRLRDWGYKVNDEWNEGSIQ
EVKRFLTDWIERMDPVYMAVSLPPTFSFPEESNRGRIIRDCLLPVAEKHN
IPFAMMIGVKKRVHPALGDAGDFVGKASMDGVEHLLREYPNNKFLVTMLS
RENQHELVVLARKFSNLMIFGCWWFMNNPEIINEMTRMRMEMLGTSFIPQ
HSDARVLEQLIYKWHHSKSIIAEVLIDKYDDILQAGWEVTEEEIKRDVAD
LFSRNFWRFVG
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 chain3hka Chain A Residue 429 [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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PDB3hka The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H49 W326 F327
Binding residue
(residue number reindexed from 1)		H47 W324 F325
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3hka, PDBe:3hka, PDBj:3hka
PDBsum3hka
PubMed19678710
UniProtQ9KFI6

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