Structure of PDB 5otb Chain C Binding Site BS03

Receptor Information
>5otb Chain C (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 C Residue 605 [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)		V297 E299
Binding residue
(residue number reindexed from 1)		V295 E297
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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