Structure of PDB 4luf Chain A Binding Site BS01

Receptor Information
>4luf Chain A (length=583) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTHKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFA
KTCVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNE
CFLNHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYA
PELLYYANKYNGVFQECCQAEDKGACLLPKIDAMREKVLASSARQRLRCA
SIQKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLL
ECADDRADLAKYICDHQDALSSKLKECCDKPVLEKSHCIAEVDKDAVPEN
LPPLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAK
EYEATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEY
GFQNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTED
YLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKP
FDEKFFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENF
VAFVDKCCAADDKEGCFVLEGPKLVASTQAALA
Ligand information
Ligand ID2Q5
InChIInChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyQVHMSMOUDQXMRS-WISYIIOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](O)CO[C@@H](C)CO[C@H](C)CO[C@H](C)CO
ACDLabs 12.01OC(COC(COC(COC(C)CO)C)C)C
OpenEye OEToolkits 1.7.6C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
CACTVS 3.385C[CH](O)CO[CH](C)CO[CH](C)CO[CH](C)CO
OpenEye OEToolkits 1.7.6CC(CO)OCC(C)OCC(C)OCC(C)O
FormulaC12 H26 O5
Name(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
ChEMBL
DrugBank
ZINCZINC000098208234
PDB chain4luf Chain A Residue 601 [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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PDB4luf Crystal structure of ovine serum albumin and its complex with 3,5-diiodosalicylic acid
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E17 K131 W134 A157 N158
Binding residue
(residue number reindexed from 1)		E17 K131 W134 A157 N158
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0046872 metal ion binding
GO:1903981 enterobactin binding
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4luf, PDBe:4luf, PDBj:4luf
PDBsum4luf
PubMed
UniProtP14639|ALBU_SHEEP Albumin (Gene Name=ALB)

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