Structure of PDB 3vgw Chain E Binding Site BS01

Receptor Information
>3vgw Chain E (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 IDNVZ
InChIInChI=1S/C12H18N2O4S/c1-7(15)14-8-6-19-9(11(8)13-12(14)18)4-2-3-5-10(16)17/h8-9,11H,2-6H2,1H3,(H,13,18)(H,16,17)/t8-,9-,11-/m0/s1
InChIKeyLXKFOEIWWHPOIN-QXEWZRGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O
OpenEye OEToolkits 1.7.2CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O
CACTVS 3.370CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2NC1=O
CACTVS 3.370CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O
ACDLabs 12.01O=C(O)CCCCC1SCC2N(C(=O)C)C(=O)NC12
FormulaC12 H18 N2 O4 S
Name5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
ChEMBL
DrugBank
ZINCZINC000095920950
PDB chain3vgw Chain E Residue 1124 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3vgw Rational development of caged-biotin protein-labeling agents and some applications in live cells
Resolution1.6 Å
Binding residue
(original residue number in PDB)		N12 L14 S16 Y33 T35 V37 A39 T40 W70 S73 S75 T77 W97 N118
Binding residue
(residue number reindexed from 1)		N12 L14 S16 Y33 T35 V37 A39 T40 W70 S73 S75 T77 W97 N118
Annotation score1
Binding affinityMOAD: Ka=200000M^-1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019731 antibacterial humoral response
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:3vgw, PDBe:3vgw, PDBj:3vgw
PDBsum3vgw
PubMed22035795
UniProtP02701|AVID_CHICK Avidin (Gene Name=AVD)

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