Structure of PDB 1h16 Chain A Binding Site BS03

Receptor Information
>1h16 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
NDDLMRPDFNNDDYAIACCVSPMIVGKQMQFFGARANLAKTMLYAINGGV
DEKLKMQVGPKSEPIKGDVLNYDEVMERMDHFMDWLAKQYITALNIIHYM
HDKYSYEASLMALHDRDVIRTMACGIAGLSVAADSLSAIKYAKVKPIRDE
DGLAIDFEIEGEYPQFGNNDPRVDDLAVDLVERFMKKIQKLHTYRDAIPT
QSVLTITSNVVYGKKTGNTPDGRRAGAPFGPGANPMHGRDQKGAVASLTS
VAKLPFAYAKDGISYTFSIVPNALGKDDEVRKTNLAGLMDGYFHHEASIE
GGQHLNVNVMNREMLLDAMENPEKYPQLTIRVSGYAVRFNSLTKEQQQDV
ITRTFTQSM
Ligand information
Ligand IDDTL
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1
InChIKeyUNXHWFMMPAWVPI-IMJSIDKUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H](O)[C@@H](O)CO
CACTVS 3.385OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.7.6C([C@@H]([C@H](CO)O)O)O
ACDLabs 12.01
OpenEye OEToolkits 1.7.6		C(C(C(CO)O)O)O
FormulaC4 H10 O4
NameL-TREITOL
ChEMBL
DrugBankDB03278
ZINCZINC000000895271
PDB chain1h16 Chain A Residue 9009 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h16 X-Ray Structure of Pyruvate Formate-Lyase in Complex with Pyruvate and Coa.How the Enzyme Uses the Cys-418 Thiyl Radical for Pyruvate Cleavage
Resolution1.53 Å
Binding residue
(original residue number in PDB)		E225 R228
Binding residue
(residue number reindexed from 1)		E225 R228
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W333 C418 C419 G734
Catalytic site (residue number reindexed from 1) W333 C418 C419 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
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Cellular Component
External links
PDB RCSB:1h16, PDBe:1h16, PDBj:1h16
PDBsum1h16
PubMed12163496
UniProtP09373|PFLB_ECOLI Formate acetyltransferase 1 (Gene Name=pflB)

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