Structure of PDB 8sng Chain A Binding Site BS01

Receptor Information
>8sng Chain A (length=368) Species: 1028307 (Klebsiella aerogenes KCTC 2190) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSDFLPFSRPSMGDAELAALREVLQSGWITTGPKNQALEEAFCQLTGNRH
AIAVSSATGGMHVTLMAMGIGPGDEVITPSQTWVSTLNMICLLGATPVMI
DVDHDNLMITPEAVEAAITSRTKAIIPVHYAGAPADIDAIRAVGERHGIP
VIEDAAHAAGTHYKGRHVGWRGTAIFSFHAIKNMTCAEGGLIVTDDDELA
SRIRSLKFHGLGVDAPQAEVITPGFKYNLADINAALALVQLDKLAQANQR
RAEIAQRYLRELADTPFKPLTIPAWDHQHAWHLFIIRVDEAACGISRDVL
MEKLKAMGIGTGLHFRAAHTQKYYRERFPEVSLPNTEWNSARICSIPLFP
DMTDDDVTRVITALHQLS
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain8sng Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sng Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P21 form)
Resolution1.55 Å
Binding residue
(original residue number in PDB)		A57 T58 W83 S85 D154 A156 H157 S177 K182
Binding residue
(residue number reindexed from 1)		A57 T58 W83 S85 D154 A156 H157 S177 K182
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.87: UDP-4-amino-4-deoxy-L-arabinose aminotransferase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion binding
GO:0099620 UDP-4-amino-4-deoxy-L-arabinose aminotransferase
Biological Process
GO:0000271 polysaccharide biosynthetic process
GO:0009103 lipopolysaccharide biosynthetic process
GO:0009245 lipid A biosynthetic process
GO:0046493 lipid A metabolic process
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8sng, PDBe:8sng, PDBj:8sng
PDBsum8sng
PubMed
UniProtA0A0H3FL22

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