Structure of PDB 3rdm Chain A Binding Site BS01

Receptor Information
>3rdm Chain A (length=123) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAEAGITGTWYNQLGSTLIVTAGADGALTGTYESAVGNAEGSYVLTGRYD
SAPATDGSGTALGWTVAWKNNYRNAHSASTWSGQYVGGAEARINTQVLTT
SGTTEANAWKSTLVGHDTFTKVK
Ligand information
Ligand IDBTN
InChIInChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
CACTVS 3.385OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
ACDLabs 12.01O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.7.6C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.7.6C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
FormulaC10 H16 N2 O3 S
NameBIOTIN
ChEMBLCHEMBL857
DrugBankDB00121
ZINCZINC000035024346
PDB chain3rdm 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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PDB3rdm Evolved streptavidin mutants reveal key role of loop residue in high-affinity binding.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L38 S40 Y56 S58 V60 N62 W92 S101 S103 D141
Binding residue
(residue number reindexed from 1)		L14 S16 Y32 S34 V36 N38 W68 S77 S79 D117
Annotation score4
Binding affinityMOAD: Kd=0.14nM
BindingDB: Kd=1.000000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:3rdm, PDBe:3rdm, PDBj:3rdm
PDBsum3rdm
PubMed21520321
UniProtP22629|SAV_STRAV Streptavidin

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