Structure of PDB 2rtp Chain D Binding Site BS01

Receptor Information
>2rtp Chain D (length=121) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDS
APATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTS
GTTEANAWKSTLVGHDTFTKV
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 chain2rtp Chain D 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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PDB2rtp Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L25 S27 Y43 S45 V47 G48 N49 W79 T90 W108 D128
Binding residue
(residue number reindexed from 1)		L13 S15 Y31 S33 V35 G36 N37 W67 T78 W96 D116
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:2rtp, PDBe:2rtp, PDBj:2rtp
PDBsum2rtp
PubMed9405158
UniProtP22629|SAV_STRAV Streptavidin

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