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Structure of PDB 6lur Chain D Binding Site BS02

Receptor Information >6lur Chain D (length=213) Species: 9606,83333 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEY QGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQL KEFLDANLAGSAMESTVMVLRNMVDPKDIDDDLEGEVTEECGKFGAVNRV IIYQEKQGEEEDAEIIVKIFVEFSIASETHKAIQALNGRWFAGRKVVAEV YDQERFDNSDLSA

Ligand information Ligand ID EVU InChI InChI=1S/C17H19N3O/c18-11-13-5-7-14(8-6-13)15-3-1-2-4-16(15)20-10-9-19-17(21)12-20/h1-8H,9-12,18H2,(H,19,21) InChIKey PENSDGIWXYUOBB-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3 CACTVS 3.385 NCc1ccc(cc1)c2ccccc2N3CCNC(=O)C3 Formula C17 H19 N3 O Name 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one ChEMBL DrugBank ZINC PDB chain 6lur Chain D Residue 602 [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 6lur Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery. Resolution 2.0 Å Binding residue (original residue number in PDB) D357 L361 K362 G428 Binding residue (residue number reindexed from 1) D14 L18 K19 G85 Annotation score 1 Binding affinity MOAD: Kd=195uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0003676 nucleic acid binding GO:0003723 RNA binding GO:0005515 protein binding GO:0015035 protein-disulfide reductase activity GO:0015036 disulfide oxidoreductase activity GO:0030337 DNA polymerase processivity factor activity

	Biological Process
GO:0045454	cell redox homeostasis

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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