Structure of PDB 5vcq Chain D Binding Site BS01

Receptor Information
>5vcq Chain D (length=120) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPA
TDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTKVKP
Ligand information
Ligand IDBN7
InChIInChI=1S/C14H24N2O3S/c1-9(2)7-19-12(17)6-4-3-5-11-13-10(8-20-11)15-14(18)16-13/h9-11,13H,3-8H2,1-2H3,(H2,15,16,18)/t10-,11-,13-/m0/s1
InChIKeyTYWDFVAUHFABAM-GVXVVHGQSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)COC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
ACDLabs 12.01O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2
CACTVS 3.385CC(C)COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
OpenEye OEToolkits 2.0.6CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
OpenEye OEToolkits 2.0.6CC(C)COC(=O)CCCCC1C2C(CS1)NC(=O)N2
FormulaC14 H24 N2 O3 S
Name2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
ChEMBL
DrugBank
ZINC
PDB chain5vcq Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB5vcq Enhanced Photocatalytic Hydrogen Production by Hybrid Streptavidin-Diiron Catalysts
Resolution2.051 Å
Binding residue
(original residue number in PDB)		L25 S27 Y43 S45 V47 N49 W79 T90 W92 W108 D128
Binding residue
(residue number reindexed from 1)		L10 S12 Y28 S30 V32 N34 W64 T75 W77 W93 D113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5vcq, PDBe:5vcq, PDBj:5vcq
PDBsum5vcq
PubMed
UniProtP22629|SAV_STRAV Streptavidin

[Back to BioLiP]