Structure of PDB 4cnk Chain A Binding Site BS02

Receptor Information
>4cnk Chain A (length=391) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNHFDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRC
NVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDH
GRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVKKTDELFTVRSSD
QAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTD
FPHKALQGISLDDVTLSYGKHIITHDLLFTHFGLSGPAALRLSSFVKGGE
TIYLDVLPQMSQQDLADFLEEHREKSLKNCLKILLPERIADFFTQPFPEK
VKQLNLSEKEALIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLE
SKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAGSLHYD
Ligand information
Ligand IDMEU
InChIInChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3
InChIKeyKQSSATDQUYCRGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		COC(=O)CN
ACDLabs 12.01O=C(OC)CN
FormulaC3 H7 N O2
NameO-METHYL-GLYCINE
ChEMBLCHEMBL1193103
DrugBank
ZINCZINC000034781692
PDB chain4cnk Chain A Residue 1393 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cnk Aminoacetone Oxidase from Streptococcus Oligofermentas Belongs to a New Three-Domain Family of Bacterial Flavoproteins.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G46 G236
Binding residue
(residue number reindexed from 1)		G46 G236
Annotation score1
Binding affinityMOAD: Kd=2.8mM
Enzymatic activity
Enzyme Commision number 1.1.3.2: Transferred entry: 1.13.12.4.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:4cnk, PDBe:4cnk, PDBj:4cnk
PDBsum4cnk
PubMed25269103
UniProtB1PUC6

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