Structure of PDB 7wux Chain C Binding Site BS01

Receptor Information
>7wux Chain C (length=330) Species: 285525 (Streptomyces sahachiroi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VELWTRDLGSCLHGTLATALIRDGHDPVTVLGAPWEFRRRPGAWSSEEYF
FFAEPDSLAGRLALYHPFESTWHRSDGDGVDDLREALAAGVLPIAAVDNF
HLPFRPAFHDVHAAHLLVVYRITETEVYVSDAQPPAFQGAIPLADFLASW
GSLNPPDDADVFFSASPSGRRWLRTRMTGPVPEPDRHWVGRVIRENVARY
RQEPPADTQTGLPGLRRYLDELCALTPGTNAASEALSELYVISWNIQAQS
GLHAEFLRAHSVKWRIPELAEAAAGVDAVAHGWTGVRMTGAHSRVWQRHR
PAELRGHATALVRRLEAALDLLELAADAVS
Ligand information
Ligand ID6OI
InChIInChI=1S/C7H16N2O7S/c8-4(7(11)12)1-2-6(10)5(9)3-16-17(13,14)15/h4-6,10H,1-3,8-9H2,(H,11,12)(H,13,14,15)/t4-,5-,6-/m0/s1
InChIKeyBPMKRAHMRLMOPA-ZLUOBGJFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C@@H](CO[S](O)(=O)=O)[C@@H](O)CC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7C(C[C@@H](C(=O)O)N)[C@@H]([C@H](COS(=O)(=O)O)N)O
CACTVS 3.385N[CH](CO[S](O)(=O)=O)[CH](O)CC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(C(=O)O)N)C(C(COS(=O)(=O)O)N)O
FormulaC7 H16 N2 O7 S
Name(2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid
ChEMBL
DrugBank
ZINC
PDB chain7wux Chain C Residue 402 [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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PDB7wux Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E54 N105 R111 P112 A113 F169 Y246 W250
Binding residue
(residue number reindexed from 1)		E48 N99 R105 P106 A107 F163 Y240 W244
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links