Structure of PDB 8i4z Chain A Binding Site BS01

Receptor Information
>8i4z Chain A (length=1687) Species: 1079985 (Streptomyces chartreusis NRRL 3882) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEPIAVLGIGCRFPGGVRSPEDLWDLVDSGGDAVGGLPAGRGWQAGSALD
GVNAGFIHGVEEFDPYFFGLDPVEAAAMDPQQRLLLETTWEAFERAGIDP
VAARGSRTAVYAGVQFGGYPLLMREAPPPQVLDHLGLGNSVGAASGRLAY
QFGLLGGAVTVDTQCTSSIVALHLAVKALRNGECALALAGGACVMSLPTV
LMDFHRRSLLAPDGRSKSFAAAADGVSLAEGAGMLLLERLSDARRNGHPV
MAVIRGTAINQDGATNGIISPSGRAQERVIRAALADGRVTADSVDAVEGH
GVGATLGDGVEVTSLLSTYGQERPAGRPLLLGSVKSNIGHTQTVGAVAGI
VKLVMALRNERLPRTVHVDGPTPHADWSSGTVRLLTEPEPWRRGERVRRA
GLTCLTLSGTNGHLILEEPPADEPAARPANPERTVPLVLSAKSPTALREQ
AERLRATITAAEPVDVGHSLHTTRSSFRHRAVVLGTGREELAAGLDALAG
DRTADGLVRGVARAQGQTALLFGGAGDGTSGDRPADAEGPRTARGLYEAF
PAFAEALDEVTEHLAGLLGPEVRAAVREPGPACAEPTVVGQAVAFALNTA
LHRLLTAFAVRPDATLGHGAGEVAAAYAAGALSLADGAALVTALGRITER
VATGPGASVWVRATEDEVRAALSGSQEQVGAAVAAVDEPGTTVVSGDAGA
VARVAAHWRAHGRATGAPRPARLLLSPDDEQAALAELRAIVAGLAFREPE
VPLLSTVTGQPVEPAELRSAEHWLDHLRGPTRFLDGVRRLRTDGVTRLVG
LDLSGDLTGPAGRSAAGFGEPGRPLLLASVPGGGRPPGQALLSALGELHT
DGVAIDWSQAFEGRGARRVDLPTYPYQKVRCWLVPPEPQVSVVAAPPHPL
LGTALDLVDATGQSFTQQLTPGQVAGVFGQQLYGTPVLPAGARLEWLLAA
ARHGSPDSAWTLTGIRLPGTVSAASGTPVALQTSREDSGDGHRVRAFVKG
PGTGGGRWAERGGATVVPAVTRPAPDRVDPESLPEGLAELDVAEVYRRLW
RQGSDYAEPLRVLRRVWLGGDEAVALVGTADVPTGPSGWSRWAAVLEAAV
QLAALSGSGPRTPVSVDRLEVSGPPSEVVWLRVRHGADGAADAVVLSGEG
VRLAAVQGLRLRPMAGREPAGLAEAPLERHEVVWHALAEDGRPGAIGGGT
GSWLVFSDDPERAAAWCDELALFGVPAVALAGEDAEGRDGTETVPVGTGD
PDVVGKTFAELRERGVTVAGLLVHDAGDAREPASGADDPLDAACRRGGRT
LALVRGFLQEYAEQTPRIVLCSAGAAAGLAGGPPHPAQAPLTALFTSLVW
EHPELPCAQVDLDPAEDPPTVVSLLGQVMRLPGAGRLAVRGGRWFEARLE
RRPAPADRGERLALRPDATYLVAGGDTRHAAAALEWLAARGARSVVLAGA
ESERGDLAGARTTGHAGIERLEHVAVDLSSAADVARLAELCADGRPPLRG
VLLLPQPVAGGGLDELDGARFGAELAGALRGPVELTRRFTDVGLTGGTDF
FVLSTSVVSLPGRAGTVVGSAADAFLTALARHHRQAGLPVVAAAWGPWLE
SVDESDEAPAVAFAEAGVYPAPGGEMLDALLPLPAAGEADGSGEAGLARV
DWDRYLTAGHRPLPYTVLETRASYDEEKAPGFGQNRM
Ligand information
Ligand IDONF
InChIInChI=1S/C15H23NO3/c17-14(13-9-8-12-16-13)10-6-4-2-1-3-5-7-11-15(18)19/h8-9,12,16H,1-7,10-11H2,(H,18,19)
InChIKeyLRVUVJYTRUNASO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCCCCCCC(=O)c1[nH]ccc1
OpenEye OEToolkits 2.0.7c1cc([nH]c1)C(=O)CCCCCCCCCC(=O)O
FormulaC15 H23 N O3
Name11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8i4z Chain A Residue 3000 [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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PDB8i4z C-N bond formation by a polyketide synthase.
Resolution3.97 Å
Binding residue
(original residue number in PDB)		Q147 F148 C197 T438
Binding residue
(residue number reindexed from 1)		Q115 F116 C165 T406
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.41: beta-ketoacyl-[acyl-carrier-protein] synthase I.
Gene Ontology
Molecular Function
GO:0004312 fatty acid synthase activity
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0071770 DIM/DIP cell wall layer assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8i4z, PDBe:8i4z, PDBj:8i4z
PDBsum8i4z
PubMed36899013
UniProtA0A2N9BJK0

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