Structure of PDB 5d05 Chain B Binding Site BS03

Receptor Information
>5d05 Chain B (length=346) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRD
KRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTT
VGWAGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQ
YYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIG
AASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAE
QLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMV
ESHLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR
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 chain5d05 Chain B Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d05 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Lys107Ala variant regulated at 1.75 Angstroms resolution
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q153 A156 L181 S182 F211 S213 V223
Binding residue
(residue number reindexed from 1)		Q150 A153 L178 S179 F208 S210 V220
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:5d05, PDBe:5d05, PDBj:5d05
PDBsum5d05
PubMed
UniProtQ9K169

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