Structure of PDB 4luh Chain A Binding Site BS04

Receptor Information
>4luh 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 chain4luh Chain A Residue 615 [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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PDB4luh Crystal structure of ovine serum albumin and its complex with 3,5-diiodosalicylic acid
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D323 V324
Binding residue
(residue number reindexed from 1)		D323 V324
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:4luh, PDBe:4luh, PDBj:4luh
PDBsum4luh
PubMed
UniProtP14639|ALBU_SHEEP Albumin (Gene Name=ALB)

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