Structure of PDB 5dcd Chain A Binding Site BS03
Receptor Information
>5dcd Chain A (length=346) Species:
122586
(Neisseria meningitidis MC58) [
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HYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRD
KRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTT
VGWKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQ
YYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIG
AASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAE
QLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMV
ESHLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR
Ligand information
Ligand ID
TYR
InChI
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey
OUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0
c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0
c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341
N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341
N[C@@H](Cc1ccc(O)cc1)C(O)=O
Formula
C9 H11 N O3
Name
TYROSINE
ChEMBL
CHEMBL925
DrugBank
DB00135
ZINC
ZINC000000266964
PDB chain
5dcd Chain A Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
5dcd
Structure of Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated and complexed with PEP at 2.05 Angstroms
Resolution
2.31 Å
Binding residue
(original residue number in PDB)
Q153 A156 L181 S182 S213 V223
Binding residue
(residue number reindexed from 1)
Q150 A153 L178 S179 S210 V220
Annotation score
1
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:5dcd
,
PDBe:5dcd
,
PDBj:5dcd
PDBsum
5dcd
PubMed
UniProt
Q9K169
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