Structure of PDB 5ykt Chain A Binding Site BS01

Receptor Information
>5ykt Chain A (length=453) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FGLDLARVETLFKRELRRFDELHPRSAQAYRENRRHWLYGAPLHWMQQWP
GNCPLLVKEAQGARVTDIDGQQYVDFALGDSGAMFGHAQPAVADAIARQA
RRGSTLMLPTEDSLWVGAELARRFGLPYWQVTTSATDANRFVLRLCRMLS
GRDKVVVFNCNYHGSVDESQVEFDAAGRMVPRAGVHPNGVRHATTTRLVE
FNDLDALEAALAHGDVAAVLTEPFMTNVGMVPPAEGFHAGLRELTRRHDV
ALIIDETHTISCGPAGYSGAHGLEPDFFVLGACIAGGIPSAVWGCSQAQA
ERIWAVLPHFRPGQAINHFGFGGTLAGNALQLAAMRATFAEVMTEDAYRH
MFQLAAQLEAGVRATLEELRLPWHVTRIGARVEYLFMTHAPRNGGEAHHA
RNGLIEACLHLYLLNRGVLLTPFHNMALTCPATRAEDVELHDRLLRDCLG
ELL
Ligand information
Ligand IDPMP
InChIInChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain5ykt Chain A 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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PDB5ykt Crystal structure of a glutamate-1-semialdehyde-aminomutase from Pseudomonas aeruginosa PAO1.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		A139 T140 Y166 H167 E226 N231 D259 T261 H262
Binding residue
(residue number reindexed from 1)		A135 T136 Y162 H163 E222 N227 D255 T257 H258
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y166 D259 A286
Catalytic site (residue number reindexed from 1) Y162 D255 A282
Enzyme Commision number 5.4.3.8: glutamate-1-semialdehyde 2,1-aminomutase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042286 glutamate-1-semialdehyde 2,1-aminomutase activity

View graph for
Molecular Function
External links
PDB RCSB:5ykt, PDBe:5ykt, PDBj:5ykt
PDBsum5ykt
PubMed29684343
UniProtQ9HWU0

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