Structure of PDB 1nc9 Chain A Binding Site BS01

Receptor Information
>1nc9 Chain A (length=120) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GITGTWYNQLGSTFIVTAGADGALTGTAESAVGNAESRYVLTGRYDSAPA
TDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTKVKP
Ligand information
Ligand IDIMI
InChIInChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1
InChIKeyWWVANQJRLPIHNS-ZKWXMUAHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCCC(=O)O)NC(=N)N2
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2
CACTVS 3.341OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=N)N[C@H]12
ACDLabs 10.04O=C(O)CCCCC1SCC2NC(=[N@H])NC12
FormulaC10 H17 N3 O2 S
Name2-IMINOBIOTIN
ChEMBLCHEMBL1233598
DrugBankDB03353
ZINCZINC000012503488
PDB chain1nc9 Chain A Residue 5100 [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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PDB1nc9 Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		N23 S27 S45 V47 G48 N49 W79 T90 W108
Binding residue
(residue number reindexed from 1)		N8 S12 S30 V32 G33 N34 W64 T75 W93
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1nc9, PDBe:1nc9, PDBj:1nc9
PDBsum1nc9
PubMed12925786
UniProtP22629|SAV_STRAV Streptavidin

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