Structure of PDB 1ujw Chain A Binding Site BS04

Receptor Information
>1ujw Chain A (length=576) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPDTLVVTANRFEQPRSTVLAPTTVVTRQDIDRWQSTSVNDVLRRLPGVD
ITQNGGSGQLSSIFIRGTNASHVLVLIDGVRLNLAGVSGSADLSQFPIAL
VQRVEYIRGPRSAVYGSDAIGGVVNIITTRDEPGTEISAGWGSNSYQNYD
VSTQQQLGDKTRVTLLGDYAHTHGDNDGFLSKTLYGALEHNFTDAWSGFV
RGYGYDNRTNYDAYYSPGSPLLDTRKLYSQSWDAGLRYNGELIKSQLITS
YSHSKDYNYDPHYGRYDSSATLDEMKQYTVQWANNVIVGHGSIGAGVDWQ
KQTTTPGTGYVEDGYDQRNTGIYLTGLQQVGDFTFEGAARSDDNSQFGRH
GTWQTSAGWEFIEGYRFIASYGTSYKAPNLGQLYGFYGNPNLDPEKSKQW
EGAFEGLTAGVNWRISGYRNDVSDLIDYDDHTLKYYNEGKARIKGVEATA
NFDTGPLTHTVSYDYVDARNAITDTPLLRRAKQQVKYQLDWQLYDFDWGI
TYQYLGTRYDKDYSSYPYQTVKMGGVSLWDLAVAYPVTSHLTVRGKIANL
FDKDYETVYGYQTAGREYTLSGSYTF
Ligand information
Ligand IDLIM
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h2-13H2,1H3,(H,17,18)
InChIKeyCJTNJZWHYGHVCD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCCCCCCCC)CC(=O)O
CACTVS 3.341CCCCCCCCCCCCC(=O)CC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC(=O)CC(=O)O
FormulaC15 H28 O3
Name3-OXO-PENTADECANOIC ACID
ChEMBL
DrugBankDB04039
ZINCZINC000014881012
PDB chain1ujw Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ujw The structure of BtuB with bound colicin E3 R-domain implies a translocon
Resolution2.75 Å
Binding residue
(original residue number in PDB)		W300 T338
Binding residue
(residue number reindexed from 1)		W282 T320
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0015288 porin activity
GO:0015420 ABC-type vitamin B12 transporter activity
GO:0019904 protein domain specific binding
GO:0046872 metal ion binding
GO:0090482 vitamin transmembrane transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0015889 cobalamin transport
GO:0034220 monoatomic ion transmembrane transport
GO:0035461 vitamin transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0046930 pore complex
GO:1902495 transmembrane transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ujw, PDBe:1ujw, PDBj:1ujw
PDBsum1ujw
PubMed14528295
UniProtP06129|BTUB_ECOLI Vitamin B12 transporter BtuB (Gene Name=btuB)

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