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Structure of PDB 2gh7 Chain A Binding Site BS02

Receptor Information
>2gh7 Chain A (length=121) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSA
PATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSG
TTEANAWKSTLVGHDTFTKVK
Ligand information
Ligand IDBTQ
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-OOZYFLPDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
CACTVS 3.341OC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12
FormulaC10 H16 N2 O3 S
NameEPI-BIOTIN;
5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
ChEMBL
DrugBankDB04650
ZINCZINC000001532548
PDB chain2gh7 Chain A Residue 5101 [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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PDB2gh7 The high-resolution structure of (+)-epi-biotin bound to streptavidin.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		L25 S27 Y43 S45 V47 N49 W79 S88 W108 L110 D128
Binding residue
(residue number reindexed from 1)		L12 S14 Y30 S32 V34 N36 W66 S75 W95 L97 D115
Annotation score1
Binding affinityMOAD: Kd~0.1pM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:2gh7, PDBe:2gh7, PDBj:2gh7
PDBsum2gh7
PubMed16699183
UniProtP22629|SAV_STRAV Streptavidin

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