Structure of PDB 3tkk Chain A Binding Site BS01

Receptor Information
>3tkk Chain A (length=301) Species: 119072 (Caldanaerobacter subterraneus subsp. tengcongensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMKYSLSADHHIFAFSKENKPAISVKSGDELEVETMDCFSNQIQSNEDK
LDEMDWNRVNPATGPIFVEGAKEGDVLKVKIKKIEVAEKGVLATGKGLGV
LGNLMEGLYSKVVDIKDGKVIFNEKLALPVKPMIGVIGVAPKEGSINCGT
PGSHGGNMDTTLIAEGAEVYFPVFVEGALLALGDLHALMGDGEVGVSGVE
VAGKVLLEVEVIKGLNLKNPVVKTAEVTATIASAESLDKAVEIAVHDMAE
LFKKHTDLSTEGIATLFSITGNAQISQVVDPLKTARFSLPNWILESYGIR
F
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 chain3tkk Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tkk Crystal Structure Analysis of a Recombinant Predicted Acetamidase/Formamidase from the Thermophile Thermoanaerobacter tengcongensis.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		K251 T254
Binding residue
(residue number reindexed from 1)		K253 T256
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3tkk, PDBe:3tkk, PDBj:3tkk
PDBsum3tkk
PubMed22207484
UniProtQ8R8S5

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