Structure of PDB 5hxw Chain D Binding Site BS03

Receptor Information
>5hxw Chain D (length=430) Species: 585 (Proteus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFVEGTEGALPKQADVVVVGAGILGIMTAINLVERGLSVVIVEKGNIAGE
QSSRFYGQAISYKMPDETFLLHHLGKHRWREMNAKVGIDTTYRTQGRVEV
PLDEEDLVNVRKWIDERSKNVGSDIPFKTRIIEGAELNQRLRGATTDWKI
AGFEEDSGSFDPEVATFVMAEYAKKMGVRIYTQCAARGLETQAGVISDVV
TEKGAIKTSQVVVAGGVWSRLFMQNLNVDVPTLPAYQSQQLISGSPTAPG
GNVALPGGIFFREQADGTYATSPRVIVAPVVKESFTYGYKYLPLLALPDF
PVHISLNEQLINSFMQSTHWNLDEVSPFEQFRNMTALPDLPELNASLEKL
KAEFPAFKESKLIDQWSGAMAIAPDENPIISEVKEYPGLVINTATGWGMT
ESPVSAELTADLLLGKKPVLDPKPFSLYRF
Ligand information
Ligand ID16A
InChIInChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
InChIKeyRLGQACBPNDBWTB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04C(CCCC[N+](C)(C)C)CCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCCCCC[N+](C)(C)C
FormulaC19 H42 N
NameCETYL-TRIMETHYL-AMMONIUM
ChEMBLCHEMBL1183605
DrugBankDB01718
ZINCZINC000006846023
PDB chain5hxw Chain D Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hxw Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
Resolution2.63 Å
Binding residue
(original residue number in PDB)		I317 S325 G329 Y330 Y332 I345 M411
Binding residue
(residue number reindexed from 1)		I276 S284 G288 Y289 Y291 I304 M370
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F96 Q99 A100 Q278 V322 F326
Catalytic site (residue number reindexed from 1) F55 Q58 A59 Q237 V281 F285
Enzyme Commision number 1.4.3.2: L-amino-acid oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:5hxw, PDBe:5hxw, PDBj:5hxw
PDBsum5hxw
PubMed27422658
UniProtQ9LCB2

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