Structure of PDB 7vef Chain A Binding Site BS01

Receptor Information
>7vef Chain A (length=828) Species: 68212 (Streptomyces graminofaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASDEPIAVIGLSCRLPKASGPQELWQLLDDGASAVTRVPADRETARWGGF
LDRVDTFDAGFFGISPREAAAMDPQQRLVLELSWEALEGAGLVPATLRDT
GLGVFVGAARDDYATLYRRRVDHHAMTGLHRSLIANRISYALGAHGPSMV
VDTGQSSSLVAVHLACESLRRGESDIALAGGVNLNIAAESARETAAFGGL
SPDGQCFTFDARANGFVRGEGGGLVVLKTLRRALADGDLVHGVILASAVN
NDGPSDTLTTPSRRAQESLLTRVYRRAGVTPTEVGYVELHGTGTKVGDPI
EAAALGAVLGTGRDTPLPVGSIKTNIGHLEGAAGIAGLIKALLQLRRRRL
VPSLNFSTPNPDIPLDALNLRVQQESAPWATTLVAGVSSFGMGGTNCHVV
VSAAPALLPWVVSARSPQALRDQAGRLAAWADSPAGREASPVDIGWSLAT
SRTHFEYRAVVSGSDRDELVASLRALASGGRLGLVFSGQGSQRAGMGREL
YVAFPVFAEAFDEVCGVLDEVMGALPPGSLREVMFEVSSDLLDETGFTQP
ALFAFEVALYRLLESWGVAGEVVAGHSVGEIAAVHVAGVLSLADACALVA
ARGRLMQGLPSGGAMVAVEASEEEVTALLAGREGEVGIGAVNGPRSVVVS
GGVAVVEEVAAHFAGLGRRARRLKVSHAFHSPLMDPMLEDFGRVVAGLSF
AVPELTVVSGLTGAVVSADELCSVGYWVRHAREAVRFADAVGAMAGVGVG
RFVEVGPGGVLSALVRECLSVVAAVRGNRAEPVALLSAVGELFADGYPVD
WTAYFAGWPAARVELPTYAFQRSRHWLE
Ligand information
Ligand ID6IU
InChIInChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11)
InChIKeyXUBGUOZSRHKRMS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NCCNC(=O)C[N+](=O)[O-]
CACTVS 3.385CC(=O)NCCNC(=O)C[N+]([O-])=O
FormulaC6 H11 N3 O4
NameN-(2-acetamidoethyl)-2-nitro-ethanamide
ChEMBL
DrugBank
ZINC
PDB chain7vef Chain A Residue 1001 [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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PDB7vef Structural Insight into the Reaction Mechanism of Ketosynthase-Like Decarboxylase in a Loading Module of Modular Polyketide Synthases.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		Q197 H332 T334 T336
Binding residue
(residue number reindexed from 1)		Q155 H290 T292 T294
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016746 acyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7vef, PDBe:7vef, PDBj:7vef
PDBsum7vef
PubMed34985877
UniProtE0D202

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