Structure of PDB 1cm5 Chain A Binding Site BS01

Receptor Information
>1cm5 Chain A (length=759) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELNEKLATAWEGFTKGDWQNEVNVRDFIQKNYTPYEGDESFLAGATEAT
TTLWDKVMEGVKLENRTHAPVDFDTAVASTITSHDAGYINKQLEKIVGLQ
TEAPLKRALIPFGGIKMIEGSCKAYNRELDPMIKKIFTEYRKTHNQGVFD
VYTPDILRCRKSGVLTGLPDAYGRGRIIGDYRRVALYGIDYLMKDKLAQF
TSLQADLENGVNLEQTIRLREEIAEQHRALGQMKEMAAKYGYDISGPATN
AQEAIQWTYFGYLAAVKSQNGAAMSFGRTSTFLDVYIERDLKAGKITEQE
AQEMVDHLVMKLRMVRFLRTPEYDELFSGDPIWATESIGGMGLDGRTLVT
KNSFRFLNTLYTMGPSPEPNMTILWSEKLPLNFKKFAAKVSIDTSSLQYE
NDDLMRPDFNNDDYAIAAAVSPMIVGKQMQFFGARANLAKTMLYAINGGV
DEKLKMQVGPKSEPIKGDVLNYDEVMERMDHFMDWLAKQYITALNIIHYM
HDKYSYEASLMALHDRDVIRTMACGIAGLSVAADSLSAIKYAKVKPIRDE
DGLAIDFEIEGEYPQFGNNDPRVDDLAVDLVERFMKKIQKLHTYRDAIPT
QSVLTITSNVVYGKKTGNTPDGRRAGAPFGPGANPMHGRDQKGAVASLTS
VAKLPFAYAKDGISYTFSIVPNALGKDDEVRKTNLAGLMDGYFHHEASIE
GGQHLNVNVMNREMLLDAMENPEKYPQLTIRVSGYAVRFNSLTKEQQQDV
ITRTFTQSM
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain1cm5 Chain A Residue 760 [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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PDB1cm5 Structure and mechanism of the glycyl radical enzyme pyruvate formate-lyase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R176 A418 F432
Binding residue
(residue number reindexed from 1)		R176 A418 F432
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W333 A418 A419 G734
Catalytic site (residue number reindexed from 1) W333 A418 A419 G734
Enzyme Commision number 2.3.1.54: formate C-acetyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0008861 formate C-acetyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0044814 glycolytic fermentation via PFL pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1cm5, PDBe:1cm5, PDBj:1cm5
PDBsum1cm5
PubMed10504733
UniProtP09373|PFLB_ECOLI Formate acetyltransferase 1 (Gene Name=pflB)

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