Structure of PDB 1lcw Chain B Binding Site BS01

Receptor Information
>1lcw Chain B (length=119) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPA
TDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTKVK
Ligand information
Ligand IDSHM
InChIInChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1
InChIKeyCUIOUBJXOZHWNJ-NRPADANISA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCCC[CH]1SC[CH]2NC(=O)N[CH]12
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCCCC(=O)O
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCCCC(=O)O)NC(=O)N2
CACTVS 3.341OC(=O)CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
FormulaC11 H18 N2 O3 S
NameHOMOBIOTIN;
6-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-HEXANOIC ACID
ChEMBL
DrugBankDB03112
ZINCZINC000005851657
PDB chain1lcw Chain B Residue 402 [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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PDB1lcw Ligand exchange between proteins: exchange of biotin and biotin derivatives between avidin and streptavidin
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N223 S227 Y243 S245 V247 W279 T290 W308 D328
Binding residue
(residue number reindexed from 1)		N8 S12 Y28 S30 V32 W64 T75 W93 D113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1lcw, PDBe:1lcw, PDBj:1lcw
PDBsum1lcw
PubMed12055191
UniProtP22629|SAV_STRAV Streptavidin

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