Structure of PDB 6m9s Chain D Binding Site BS02

Receptor Information
>6m9s Chain D (length=457) Species: 285532 (Streptomyces achromogenes subsp. streptozoticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMSHVPPHVPFELSGAELRDAIVQYATNPIYHDNLDWLNHDNPYRRQLR
PQVLPHLDYDKVPGRENILNYASLAVQRLLTSVYEADLVFFPKSGLKGKE
EDFRAFYSPANRALGERIRPALERYAFGFLDDEVETSGTWTAQSLDAYLD
SLDEQSPVEKAILGSADRERAARMWLVQFAPDFLSEASPMMRNVLGYYGP
AQSEWFKVVIDEHDTKHSTLFERTLESVGLESDLHRYWQYYLNSSLLLNN
YFHYLGKNHELFFRYVGALYYTESSLVDFCRRADHLLREVFGDTVDTTYF
TEHIGRMAREKIIKPLVEAHGDGIIPEIVRGIEEYRVLLEIGDFDFSEQI
AWMDAQPELKKLHDPVFEGLKQGKVDAPVAHLVEPRGELSNTHCHDGDEL
CHIVSGTMRFESGLGSSLTLQAGEGVVIKRNRLHGANIESDECVYEIHSV
GDYRKCL
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 D Residue 502 [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)		E189 E215 H225 H311
Binding residue
(residue number reindexed from 1)		E186 E212 H217 H303
Annotation score4
External links