Structure of PDB 6m9s Chain B Binding Site BS01

Receptor Information
>6m9s Chain B (length=449) Species: 285532 (Streptomyces achromogenes subsp. streptozoticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HVPPHVPFELSGAELRDAIVQYATNPIYHDNLDWLNHDNPYRRQLRPQVL
PHLDYDKVPGRENILNYASLAVQRLLTSVYEADLVFFPKSGLKGKEEDFR
AFYSPANRALGERIRPALERYAFGFLDDEVETTWTAQSLDAYLDSLDEQS
PVEKAILGSADRERAARMWLVQFAPDFLSEASPMMRNVLGYYGPAQSEWF
KVVIDETKHSTLFERTLESVGLESDLHRYWQYYLNSSLLLNNYFHYLGKN
HELFFRYVGALYYTESSLVDFCRRADHLLREVFGDTVDTTYFTEHIGRMA
REKIIKPLVEAHGDGIIPEIVRGIEEYRVLLEIGDFDFSEQIAWMDAQPE
LKKLHDPVFEGLKQGKVDAPVAHLVEPRGELSNTHCHDGDELCHIVSGTM
RFESGLGSSLTLQAGEGVVIKRNRLHGANIESDECVYEIHSVGDYRKCL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6m9s Chain B Residue 501 [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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PDB6m9s An N-nitrosating metalloenzyme constructs the pharmacophore of streptozotocin.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		H407 H409 H448
Binding residue
(residue number reindexed from 1)		H385 H387 H426
Annotation score4
External links