Structure of PDB 6tm4 Chain BBB Binding Site BS02

Receptor Information
>6tm4 Chain BBB (length=432) Species: 1470557 (Streptomyces sp. Tu 6176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMSRSRPELGDWSSPAELAELQRSQLPRVLAQALRSPFYAARYRGTTPPR
TADDFAGVEVTAKQDLRDQYPFGMLAVGREHLATYHESSGTAGEPTASYY
TEEDWTDLAERFARKWTGIHPSDTFLVRTPYGLVITGHLAQAAGRLRGAT
VVPGDARSLATPLSRMVRVLKTLDVTLTWCNPTEITMLAAAAKAAGLRPD
QDFPHLRAMFTAAEPLTEVRRRRLSEIWGGIPVVEEYGSTETGTIAGQCP
EGRMHLWADRAIFEVYDPRTGTLSEAGRGQMVVTPLYRDAMPLLRYNLAD
DVEVSTDPCGCGWLLPTVTVLGHRIGPATVTQQRLEELVFSLPAAYEVMF
WRAKAHPDVLELEFEAPEPVRQRAVKELGAALDRELGVPHRITGLAPGTL
VPAEALTAQRDILKARYLFAEDEDWDKAVMYF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6tm4 Chain BBB Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tm4 The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		C248 H254 C308 C310
Binding residue
(residue number reindexed from 1)		C249 H255 C309 C311
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016874 ligase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6tm4, PDBe:6tm4, PDBj:6tm4
PDBsum6tm4
PubMed31903677
UniProtA0A022MRT4

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