Structure of PDB 4uc5 Chain D Binding Site BS02

Receptor Information
>4uc5 Chain D (length=347) Species: 487 (Neisseria meningitidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGR
DKRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRT
TVGWKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITP
QYYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAI
GAASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAA
EQLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVM
VESHLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR
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 chain4uc5 Chain D Residue 1352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uc5 Calculated Pka Variations Expose Dynamic Allosteric Communication Networks.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		Q153 A156 L181 S182 F211 S213
Binding residue
(residue number reindexed from 1)		Q151 A154 L179 S180 F209 S211
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:4uc5, PDBe:4uc5, PDBj:4uc5
PDBsum4uc5
PubMed26794122
UniProtQ9K169

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