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Structure of PDB 8a9q Chain B Binding Site BS01

Receptor Information >8a9q Chain B (length=582) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDLVKMVNEVTEFAKT CVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECF LQHKDDNPNLPRLVRPEPDVMCTAFHDNEETFLKKYLYEIARRHPYFYAP ELLYFAKRYKAAFTECCQAADKAACLLPKLDELREEGKASSAKQRHKCAI LQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLE CADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADL PSLAADFIESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKT YETTLEKCCAAADPHECYSKVFDEFKPLIEEPQNLIKQNCELFEQLGEYK FQNALLIRYTKKVPQVSTPTLVEVARNLGKVGSKCCKHPEAKRMPCAEDY LSIVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEF NAETFTFHADICTLSEEERQIKKQTALVELVKHKPKATKEQLKAVMDDFS AFVEKCCKADDKETCFAEEGKKLIAASQAALG

Ligand information Ligand ID RWF InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1 InChIKey PJVWKTKQMONHTI-OAHLLOKOSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O CACTVS 3.341 CC(=O)C[C@H](c1ccccc1)C2=C(O)c3ccccc3OC2=O CACTVS 3.341 CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O OpenEye OEToolkits 1.5.0 CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O ACDLabs 10.04 O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3 Formula C19 H16 O4 Name R-WARFARIN ChEMBL CHEMBL251073 DrugBank DB08496 ZINC ZINC000084589076 PDB chain 8a9q Chain B Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 8a9q Stable Mammalian Serum Albumins Designed for Bacterial Expression. Resolution 2.0 Å Binding residue (original residue number in PDB) K199 R222 L238 H242 S287 A291 Binding residue (residue number reindexed from 1) K197 R220 L236 H240 S285 A289 Annotation score 1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0003677 DNA binding GO:0005504 fatty acid binding GO:0005507 copper ion binding GO:0005515 protein binding GO:0008289 lipid binding GO:0015643 toxic substance binding GO:0016209 antioxidant activity GO:0019825 oxygen binding GO:0030170 pyridoxal phosphate binding GO:0042802 identical protein binding GO:0046872 metal ion binding GO:0051087 protein-folding chaperone binding GO:0140272 exogenous protein 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
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005783	endoplasmic reticulum
GO:0005788	endoplasmic reticulum lumen
GO:0005794	Golgi apparatus
GO:0031093	platelet alpha granule lumen
GO:0032991	protein-containing complex
GO:0070062	extracellular exosome
GO:0072562	blood microparticle

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