Structure of PDB 5czt Chain B Binding Site BS02

Receptor Information
>5czt Chain B (length=344) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRD
KRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRVG
WKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYY
ADLISWGAIGARTTESQVHRALASGLSCPVGFKNGTDGNLKIAIDAIGAA
SHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQL
RAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVES
HLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain5czt Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5czt Neisseria meningitidis 3 dexy-D-arabino-heptulosonate 7-phosphate synthase Glu176Ala variant at 2.04 Angstroms resolution
Resolution2.04 Å
Binding residue
(original residue number in PDB)		Q153 A156 L177 L181 S182 F211 S213 V223
Binding residue
(residue number reindexed from 1)		Q148 A151 L172 L176 S177 F206 S208 V218
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5czt, PDBe:5czt, PDBj:5czt
PDBsum5czt
PubMed
UniProtQ9K169

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