Structure of PDB 2jkl Chain C Binding Site BS01

Receptor Information
>2jkl Chain C (length=138) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSFTPSGTTGTTKLTVTEKCQVRVGDLTVAKTRGQLTDAAPIGPVTVQAL
GCDARQVALKADTDNFEGKFFLISDNNRDKLYVNIRPTDNSAWTTDNGVF
YKNDVGSWGGIIGIYVDGQQTNTPPGNYTLTLTGGYWA
Ligand information
Ligand IDBRX
InChIInChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKeyUWOHGNMWBGIRAQ-RKDXNWHRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]
CACTVS 3.341OC[C@@H](NC(=O)C(Br)Br)[C@H](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]
CACTVS 3.341OC[CH](NC(=O)C(Br)Br)[CH](O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04BrC(Br)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
FormulaC11 H12 Br2 N2 O5
NameBROMAMPHENICOL
ChEMBL
DrugBankDB07492
ZINC
PDB chain2jkl Chain B Residue 1142 [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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PDB2jkl A Structural Study of the Interaction between the Dr Haemagglutinin Drae and Derivatives of Chloramphenicol
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q55 D104 V105
Binding residue
(residue number reindexed from 1)		Q56 D104 V105
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2jkl, PDBe:2jkl, PDBj:2jkl
PDBsum2jkl
PubMed19465765
UniProtP24093|DRAA_ECOLX Dr hemagglutinin structural subunit (Gene Name=draA)

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