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Structure of PDB 3vhh Chain C Binding Site BS01

Receptor Information >3vhh Chain C (length=123) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ARKCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYITAVTATSNEIKESPLH GTQNTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLR SSVNDIGDDWKATRVGINIFTRL

Ligand information Ligand ID VHH InChI InChI=1S/C12H20N2O3S/c1-13-8-7-18-9(5-3-4-6-10(15)16)11(8)14(2)12(13)17/h8-9,11H,3-7H2,1-2H3,(H,15,16)/t8-,9-,11-/m0/s1 InChIKey PECDAVNFXWSGFV-QXEWZRGKSA-N SMILES Software SMILES CACTVS 3.370 CN1[CH]2CS[CH](CCCCC(O)=O)[CH]2N(C)C1=O CACTVS 3.370 CN1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2N(C)C1=O OpenEye OEToolkits 1.7.2 CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O ACDLabs 12.01 O=C(O)CCCCC1SCC2N(C(=O)N(C12)C)C OpenEye OEToolkits 1.7.2 CN1C2CSC(C2N(C1=O)C)CCCCC(=O)O Formula C12 H20 N2 O3 S Name 5-[(3aS,4S,6aR)-1,3-dimethyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid ChEMBL DrugBank ZINC ZINC000095921434 PDB chain 3vhh Chain C Residue 1124 [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 3vhh Rational development of caged-biotin protein-labeling agents and some applications in live cells Resolution 2.26 Å Binding residue (original residue number in PDB) N12 L14 S16 Y33 W70 S75 T77 F79 W97 N118 Binding residue (residue number reindexed from 1) N12 L14 S16 Y33 W70 S75 T77 F79 W97 N118 Annotation score 1 Binding affinity MOAD: Ka=400000000M^-1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0009374 biotin binding

	Biological Process
GO:0019731	antibacterial humoral response

	Cellular Component
GO:0005576	extracellular region

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