Structure of PDB 4rk1 Chain E Binding Site BS01

Receptor Information
>4rk1 Chain E (length=268) Species: 333849 (Enterococcus faecium DO) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTIGVLVPDITNPFFSTLMRGIEDILYKQNFVTILCNADSIEYLAELTRR
GVDGFIIATSAVSTDAINENLKKQGRPFIVLDQKKSEGFSDAVRTDDFRG
GYLAGMHLLSLGHQTIALVYPENPPENVHARIEGFKSALDVYQIPHDQLI
LLPTQFSKQGGYQITAELLDSAATGVFALNDELAFGLYRGLEEAGKSIPE
DYSIIGYDNIDMCEYIKPKLTTIAQPIFELGQTSAKLLLDRIQFPEKEWE
EKRLPVRFEKRFSTAPLK
Ligand information
Ligand IDRIB
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
InChIKeyHMFHBZSHGGEWLO-AIHAYLRMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-D-ribofuranose;
alpha-D-ribose;
D-ribose;
ribose
ChEMBLCHEMBL606078
DrugBank
ZINCZINC000003860714
PDB chain4rk1 Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rk1 Crystal Structure of LacI Transcriptional Regulator Rbsr from Enterococcus faecium, Target EFI-512930
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N78 F80 D153 Q154 N198 R202 F227 N251 D279 Q296
Binding residue
(residue number reindexed from 1)		N12 F14 D82 Q83 N127 R131 F156 N180 D208 Q225
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links