Structure of PDB 5i90 Chain A Binding Site BS02

Receptor Information
>5i90 Chain A (length=390) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKWKALRQQFDLDPQYLHFANFLLTSHPRPVREAIERLRVRFDRNPGEAV
DWHREEIWKYEDEARAWAGRYFAVQPGQVALTGSTTDGLAAIYGGLLVQP
GKEILTSSHEHYSTYTTLEYRHKRMGTQVREFPLFKDPHRVSADEILSSI
AAQIRPQTRVLGMTWVQSGSGVKLPIREIGKLVRELNQKRDEQDRIIYVV
DGVHGFGVEDVSFADFDCDYFIAGTHKWLFGPRGTGVIIARSEQLQEHLV
PSIPTFSRADNFGTLMTPGGYHAFEHRLALGTAFELHLQLGKAEVQARIH
QLNAYLKQRLGEHPKVRLVTPTSPELSSGFTFFRVEGRDCEAVAKHLMAH
RVISDAVDRDVGPVVRLAPSLLNDEAEIDRVLEILAPQLA
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 chain5i90 Chain B Residue 501 [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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PDB5i90 1.2 angstrom resolution crystal structure of the periplasmic aminotransferase PvdN from Pseudomonas aeruginosa.
Resolution1.219 Å
Binding residue
(original residue number in PDB)		G307 Y308
Binding residue
(residue number reindexed from 1)		G270 Y271
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H148 D238 V240 H241 K264 D392
Catalytic site (residue number reindexed from 1) H111 D201 V203 H204 K227 D355
Enzyme Commision number 2.8.1.7: cysteine desulfurase.
Gene Ontology
Biological Process
GO:0002049 pyoverdine biosynthetic process
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5i90, PDBe:5i90, PDBj:5i90
PDBsum5i90
PubMed27139833
UniProtG3XCY5

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