Structure of PDB 2jkl Chain A Binding Site BS01

Receptor Information
>2jkl Chain A (length=139) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSFTPSGTTGTTKLTVTEKCQVRVGDLTVAKTRGQLTDAAPIGPVTVQAL
GCDARQVALKADTDNFEQGKFFLISDNNRDKLYVNIRPTDNSAWTTDNGV
FYKNDVGSWGGIIGIYVDGQQTNTPPGNYTLTLTGGYWA
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 A Residue 1143 [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]
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)		P40 G42 P43 I111 G113 I114 Y115
Binding residue
(residue number reindexed from 1)		P41 G43 P44 I112 G114 I115 Y116
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)

[Back to BioLiP]