Structure of PDB 1ycl Chain A Binding Site BS02

Receptor Information
>1ycl Chain A (length=154) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VESFELDHNAVVAPYVRHCGVHKVGTDGVVNKFDIRFCQPNKQAMKPDTI
HTLEHLLAFTIRSHAEKYDHFDIIDISPMGAQTGYYLVVSGEPTSAEIVD
LLEDTMKEAVEITEIPAANEKQCGQAKLHDLEGAKRLMRFWLSQDKEELL
KVFG
Ligand information
Ligand IDKRI
InChIInChI=1S/C9H17NO6S/c10-5(9(15)16)1-2-17-4-7(13)8(14)6(12)3-11/h5,7-8,11,13-14H,1-4,10H2,(H,15,16)/t5-,7+,8-/m0/s1
InChIKeyQFXXRJSDEMCBPH-ARDNSNSESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CSCC(C(C(=O)CO)O)O)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)CO)C(O)=O
ACDLabs 10.04O=C(C(O)C(O)CSCCC(N)C(=O)O)CO
CACTVS 3.341N[CH](CCSC[CH](O)[CH](O)C(=O)CO)C(O)=O
FormulaC9 H17 N O6 S
Name(S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDROXY-4-OXO-PENTYL]MERCAPTO-BUTYRIC ACID
ChEMBL
DrugBankDB04182
ZINCZINC000012504198
PDB chain1ycl Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ycl Crystal Structure of S-Ribosylhomocysteinase (LuxS) in Complex with a Catalytic 2-Ketone Intermediate.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H54 E57 D78 I79 C126 G127
Binding residue
(residue number reindexed from 1)		H51 E54 D75 I76 C123 G124
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.21: S-ribosylhomocysteine lyase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016829 lyase activity
GO:0043768 S-ribosylhomocysteine lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009372 quorum sensing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ycl, PDBe:1ycl, PDBj:1ycl
PDBsum1ycl
PubMed15751951
UniProtO34667|LUXS_BACSU S-ribosylhomocysteine lyase (Gene Name=luxS)

[Back to BioLiP]