Structure of PDB 5otb Chain A Binding Site BS01

Receptor Information
>5otb Chain A (length=581) Species: 9925 (Capra hircus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFAKT
CVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNECF
LKHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYAPE
LLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASI
QKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLLEC
ADDRADLAKYICDHQDTLSSKLKECCDKPVLEKSHCIAEIDKDAVPENLP
PLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAKEY
EATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEYGF
QNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTEDYL
SLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKPFD
GESFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENFVA
FVDKCCAADDKEGCFLLEGPKLVASTQAALA
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain5otb Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5otb Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		A209 W213 S343 L346 V481
Binding residue
(residue number reindexed from 1)		A207 W211 S341 L344 V479
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0046872 metal ion 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:5otb, PDBe:5otb, PDBj:5otb
PDBsum5otb
PubMed29095162
UniProtB3VHM9

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