Structure of PDB 7kct Chain A Binding Site BS04

Receptor Information
>7kct Chain A (length=453) Species: 940 (Hydrogenobacter thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HQMFKKVLVANRGEIACRVIRACKELGIQTVAIYNEIESTARHVKMADEA
YMIGVNPLDTYLNAERIVDLALEVGAEAIHPGYGFLAENEHFARLCEEKG
ITFIGPHWKVIELMGDKARSKEVMKRAGVPTVPGSDGILKDVEEAKRIAK
EIGYPVLLKASAGGGGRGIRICRNEEELVRNYENAYNEAVKAFGRGDLLL
EKYIENPKHIEFQVLGDKYGNVIHLGERDCSIQRRNQKLVEIAPSLLLTP
EQREYYGSLVVKAAKEIGYYSAGTMEFIADEKGNLYFIEMNTRIQVEHPV
TEMITGVDIVKWQIRIAAGERLRYSQEDIRFNGYSIECRINAEDPKKGFA
PSIGTIERYYVPGGFGIRVEHASSKGYEITPYYDSLIAKLIVWAPLWEVA
VDRMRSALETYEISGVKTTIPLLINIMKDKDFRDGKFTTRYLEEHPHVFD
YAE
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain7kct Chain A Residue 504 [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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PDB7kct Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		D114 R117
Binding residue
(residue number reindexed from 1)		D116 R119
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E274 E287 N289 E295 R337
Catalytic site (residue number reindexed from 1) E276 E289 N291 E297 R339
Enzyme Commision number 6.4.1.7: 2-oxoglutarate carboxylase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0034029 2-oxoglutarate carboxylase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7kct, PDBe:7kct, PDBj:7kct
PDBsum7kct
PubMed33464881
UniProtD3DJ42|2OCS_HYDTT 2-oxoglutarate carboxylase small subunit (Gene Name=cfiB)

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