Structure of PDB 3rdq Chain A Binding Site BS01

Receptor Information
>3rdq Chain A (length=125) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHTAEAGITGTWYNQLGSTLIVTAGADGALTGTYESAVGNAEGSYVLTGR
YDSAPATDGSGTALGWTVAWKNNYRNAHSASTWSGQYVGGAEARINTQVL
TTSGTTEANAWKSTLVGHDTFTKVK
Ligand information
Ligand IDDTB
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1
InChIKeyAUTOLBMXDDTRRT-JGVFFNPUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(NC(=O)N1)CCCCCC(=O)O
OpenEye OEToolkits 1.7.6C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O
CACTVS 3.385C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
ACDLabs 12.01C1(=O)NC(C(N1)C)CCCCCC(=O)O
CACTVS 3.385C[CH]1NC(=O)N[CH]1CCCCCC(O)=O
FormulaC10 H18 N2 O3
Name6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID;
D-DESTHIOBIOTIN
ChEMBLCHEMBL1232381
DrugBankDB03775
ZINCZINC000094437777
PDB chain3rdq Chain A Residue 300 [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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PDB3rdq Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L25 S27 Y43 S45 V47 G48 N49 W79 A86 S88 D128
Binding residue
(residue number reindexed from 1)		L16 S18 Y34 S36 V38 G39 N40 W70 A77 S79 D119
Annotation score1
Binding affinityMOAD: Kd=0.49nM
PDBbind-CN: -logKd/Ki=9.31,Kd=0.49nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:3rdq, PDBe:3rdq, PDBj:3rdq
PDBsum3rdq
PubMed21520321
UniProtP22629|SAV_STRAV Streptavidin

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