Structure of PDB 3wzn Chain A Binding Site BS01

Receptor Information
>3wzn Chain A (length=124) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAEAGITGTWSDQLGDTFIVTAGADGALTGTYESAVGNAESRYVLTGRY
DSAPATDGSGTALGWTVAWKNNSKNAHSATTWSGQYVGGADAKINTQWLL
TSGTTNANAWKSTLVGHDTFTKVK
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 chain3wzn Chain A Residue 1001 [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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PDB3wzn Structure-based design of a streptavidin mutant specific for an artificial biotin analogue.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D27 Y43 S45 V47 N49 W79 S88 T90 W108
Binding residue
(residue number reindexed from 1)		D17 Y33 S35 V37 N39 W69 S78 T80 W98
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.00,Kd=0.10uM
BindingDB: Kd=1.000000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:3wzn, PDBe:3wzn, PDBj:3wzn
PDBsum3wzn
PubMed25645976
UniProtP22629|SAV_STRAV Streptavidin

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