Structure of PDB 5fau Chain A Binding Site BS01

Receptor Information
>5fau Chain A (length=794) Species: 207559 (Oleidesulfovibrio alaskensis G20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIPDGPTPRHVKLKENFLKQVPSITVQRAVAITKIAKENPGLPKPLLRAK
TFRYCCETAPLVIQDHELIVGSPNGAPRAGAFSPEVAWRWLQDELDTIGS
RPQDPFYISEEDKKVLREEVFPFWQNKSVDEFCEGQYREADLWEMSGESF
VSDCSYHAVNGGGDSNPGYDVILMKKGMLDIQREAREKLEQLDYANPEDI
DKIYFYKSVIETAEGVMIYARRLSAYAAELAARETDPRRKAELQKISEVN
ARVPAHAPSNFWEAIQAVWTVESLLVVEENQTGMSIGRVDQYMYPFYRAD
IDSGRLTEYEAFDLAGCMLVKMSEMMWITSEGASKFFAGYQPFVNMCVGG
VTREGHDATNDLTYMLMDAVRHVRIYQPTLATRVHNKSPQKYLKKIVDVI
RSGMGFPAVHFDDAHIKMMLAKGVSIEDARDYCLMGCVEPQKSGRLYQWT
STGYTQWPICIELVLNHGVPLWYGKKVTPDMGDLSQYDTYEKFEAAVKEQ
IRWITKNTSVATVISQRAHRELAPKPLMSLMYEGCMESGRDVSAGGAMYN
FGPGVVWSGLATYVDSMAAIKKLVYDDRKYTLAQLNEALKADFAGYDQIL
ADCLAAPKYGNDDDYADMIAADLVHFTETEHRKYKTLYSVLSHGTLSISN
NTPFGQLLGASANGRRAWMPLSDGISPTQGADYKGPTAIIKSVSKMANDN
MNIGMVHNFKLMSGLLDTPEGENGLITLIRTACMLGNGEMQFNYLDNELL
LDAQKHPEKYRDLVVRVAGYSAFFVELCKDVQDEIISRTMLHGF
Ligand information
Ligand IDCHT
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCO
ACDLabs 10.04OCC[N+](C)(C)C
FormulaC5 H14 N O
NameCHOLINE ION
ChEMBLCHEMBL920
DrugBankDB00122
ZINCZINC000003079337
PDB chain5fau Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fau Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y208 D216 G488 C489 E491
Binding residue
(residue number reindexed from 1)		Y156 D164 G436 C437 E439
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) F395 G488 C489 G821
Catalytic site (residue number reindexed from 1) F343 G436 C437 G769
Enzyme Commision number 4.3.99.4: choline trimethylamine-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016840 carbon-nitrogen lyase activity
GO:0033265 choline binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0042426 choline catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5fau, PDBe:5fau, PDBj:5fau
PDBsum5fau
PubMed27642068
UniProtQ30W70|CUTC_OLEA2 Choline trimethylamine-lyase (Gene Name=cutC)

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