Structure of PDB 4z28 Chain B Binding Site BS01

Receptor Information
>4z28 Chain B (length=126) Species: 411684 (Hoeflea phototrophica DFL-43) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDMKLLAGASNWVNQSGSVAQFVFTPSPTQPQTYEVSGNYINNAQGTGCK
GTPYPLSGAYYSGNQIISFSVVWSNASANCQSATGWTGYFDFSGSQAVLK
TDWNLAFYSGSTPAIQQGQDDFMQSV
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 chain4z28 Chain B Residue 201 [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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PDB4z28 Hoefavidin: A dimeric bacterial avidin with a C-terminal binding tail.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		S26 Y48 N50 G56 W81 C88 S90 T92 W111 D128
Binding residue
(residue number reindexed from 1)		S18 Y40 N42 G48 W73 C80 S82 T84 W103 D120
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:4z28, PDBe:4z28, PDBj:4z28
PDBsum4z28
PubMed26126731
UniProtA9D857|HOAVI_HOEPD Hoefavidin (Gene Name=HPDFL43_17171)

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