Structure of PDB 6ock Chain A Binding Site BS04

Receptor Information
>6ock Chain A (length=582) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKSEIAHRFNDVGEEHFIGLVLITFSQYLQKCPYEEHAKLVKEVTDLAKA
CVADESAANCDKSLHDIFGDKICALPSLRDTYGDVADCCEKKEPERNECF
LHHKDDKPDLPPFARPEADVLCKAFHDDEKAFFGHYLYEVARRHPYFYAP
ELLYYAQKYKAILTECCEAADKGACLTPKLDALKEKALISAAQERLRCAS
IQKFGDRAYKAWALVRLSQRFPKADFTDISKIVTDLTKVHKECCHGDLLE
CADDRADLAKYMCEHQETISSHLKECCDKPILEKAHCIYGLHNDETPAGL
PAVAEEFVEDKDVCKNYEEAKDLFLGKFLYEYSRRHPDYSVVLLLRLGKA
YEATLKKCCATDDPHACYAKVLDEFQPLVDEPKNLVKQNCELYEQLGDYN
FQNALLVRYTKKVPQVSTPTLVEISRSLGKVGSKCCKHPEAERLPCVEDY
LSVVLNRLCVLHEKTPVSEKVTKCCSESLVDRRPCFSALGPDETYVPKEF
NAETFTFHADICTLPETERKIKKQTALVELVKHKPHATNDQLKTVVGEFT
ALLDKCCSAEDKEACFAVEGPKLVESSKATLG
Ligand information
Ligand ID2J3
InChIInChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyLCZVSXRMYJUNFX-IWSPIJDZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](O)CO[CH](C)CO[CH](C)CO
OpenEye OEToolkits 1.9.2CC(CO)OCC(C)OCC(C)O
ACDLabs 12.01O(C(CO)C)CC(OCC(O)C)C
OpenEye OEToolkits 1.9.2C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O
CACTVS 3.385C[C@@H](O)CO[C@H](C)CO[C@H](C)CO
FormulaC9 H20 O4
Name(2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
ChEMBL
DrugBank
ZINCZINC000005751431
PDB chain6ock Chain A Residue 611 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ock Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E17 E131 K132 F135 A158 K162
Binding residue
(residue number reindexed from 1)		E15 E129 K130 F133 A156 K160
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0015643 toxic substance binding
GO:0019825 oxygen binding
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion binding
GO:1903981 enterobactin binding
Biological Process
GO:0009267 cellular response to starvation
GO:0051902 negative regulation of mitochondrial depolarization
GO:0072732 cellular response to calcium ion starvation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0032991 protein-containing complex
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ock, PDBe:6ock, PDBj:6ock
PDBsum6ock
PubMed31905261
UniProtP49065|ALBU_RABIT Albumin (Gene Name=ALB)

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