Structure of PDB 2y4r Chain B Binding Site BS01

Receptor Information
>2y4r Chain B (length=270) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDWVDGRPAAELSVRDRGLAYGDGLFETLAVRAGTPRLLERHLARLEEGC
RRLAIPLDTAALRQELLAFCAALGDGVAKLIVTRGEGLRGYAPPAEASPR
RILSGSPRPAYPERHWQQGVRLFACRTRLAEQPLLAGLKHLNRLEQVLAR
AEWSDAGHAEGLMLDVHERVVEGVFSNLLLVLDGTLVAPDLRRCGVAGVM
RAELLERAEGIGVPLAIRDVSMAELATADEVFLCNSQFGIWPVRALDEHV
WPVGELTRKLQDQLRDDLDF
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 chain2y4r Chain B Residue 1140 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y4r Pseudomonas Aeruginosa 4-Amino-4-Deoxychorismate Lyase: Spatial Conservation of an Active Site Tyrosine and Classification of Two Types of Enzyme.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		R46 K140 S177 V197 G199 V200 M201 N236 S237
Binding residue
(residue number reindexed from 1)		R45 K139 S176 V196 G198 V199 M200 N235 S236
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F27 T29 K140 E173 V197
Catalytic site (residue number reindexed from 1) F26 T28 K139 E172 V196
Enzyme Commision number 4.1.3.38: aminodeoxychorismate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008696 4-amino-4-deoxychorismate lyase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0008153 para-aminobenzoic acid biosynthetic process
GO:0046394 carboxylic acid biosynthetic process
GO:0046656 folic acid biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2y4r, PDBe:2y4r, PDBj:2y4r
PDBsum2y4r
PubMed21935381
UniProtQ9HZN6

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