Structure of PDB 1yw1 Chain A Binding Site BS01

Receptor Information

>1yw1 Chain A (length=393) Species: 1423 (Bacillus subtilis)

RADFIQFGAMIHGVGGTTDGWRHPDVDPSASTNIEFYMKKAQTAEKGLFS
FIFIADGLFISEKSIPHFLNRFEPITILSALASVTKNIGLVGTFSTSFTE
PFTISRQLMSLDHISGGRAGWNLVTSPQEGAARNHSKSNLPEHTERYEIA
QEHLDVVRGLWNSWEHDAFIHNKKTGQFFDQAKLHRLNHKGKYFQVEGPL
NIGRSKQGEPVVFQAGSSETGRQFAAKNADAIFTHSNSLEETKAFYADVK
SRAADEGRDPSSVRIFPGISPIVADTEEEAEKKYREFAELIPIENAVTYL
AREAKARNLTLREVAQEMAFPRTLFIGTPERVASLIETWFNAEAADGFIV
GSDIPGTLDAFVEKVIPILQERGLYRQDYRGGTLRENLGLGIP

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 1yw1 Chain A Residue 2605

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1yw1 Structure Of Ytnj From Bacillus Subtilis in complex with FMN
• Resolution: 2.81 Å
• Binding residue (original residue number in PDB): A57 D58 F70 R73 Q130
• Binding residue (residue number reindexed from 1): A55 D56 F68 R71 Q128
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.14.-

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen

External links

• PDB: RCSB:1yw1, PDBe:1yw1, PDBj:1yw1
• PDBsum: 1yw1
• UniProt: O34974|CMOJ_BACSU N-acetyl-S-alkylcysteine sulfoxide monooxygenase (Gene Name=cmoJ)