Structure of PDB 6sj4 Chain B Binding Site BS02

Receptor Information
>6sj4 Chain B (length=495) Species: 1470557 (Streptomyces sp. Tu 6176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMGARLITGGTVYTADAQESVHARGAVLTVDDKVVAVGPAVEVEQAVQAL
DPAVRAELRRLDASRMMVLPGFVNAHWHEMFAMGFTMRGALRPPSDRADQ
VAFMGGGGDMHQISATFDRFDGLIEAMTEDEARAIAEYSMWIQLRGGVTT
LGDMGSLNRPLAMVEAARRLGMRFSASTWASDAVLAPDRSRFLRTRDADT
VLASFEALLGAVAADPTGRIRCRPNVSYVTNMTDELARGMAELVERHDLP
FATHVGALRNEADAMRAYHGETGVRRLAEAGLVDERLMAGHSAFLDDQEQ
KLMLAGRAHISHSPGKYGPSGESALTETGVVPALRRAGLDVSLSTDAAAL
PGAGIAETMRAAWQMYNEMSADQTEVLPTDALAMATRIAAKGLRWDDAVG
SLEPGKQADLLLVRTDDWRYLLNPRPLESFLWLAGSADVDTVIVGGRTLV
EGGRGVEVDEAALRDRYLQALRGFTTRALRVPAEAVDPVLAEVAR
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 chain6sj4 Chain B Residue 504 [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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PDB6sj4 The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Resolution1.81 Å
Binding residue
(original residue number in PDB)
H75 H77 H253 D345
Binding residue
(residue number reindexed from 1)
H76 H78 H254 D346
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6sj4, PDBe:6sj4, PDBj:6sj4
PDBsum6sj4
PubMed31903677
UniProtA0A022MQ12

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