Structure of PDB 5dce Chain A Binding Site BS02
Receptor Information
>5dce Chain A (length=344) Species:
122586
(Neisseria meningitidis MC58) [
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PTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKR
LLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVG
WKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYY
ADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAA
SHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQL
RAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVES
HLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR
Ligand information
Ligand ID
TRP
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKey
QIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341
N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Formula
C11 H12 N2 O2
Name
TRYPTOPHAN
ChEMBL
CHEMBL54976
DrugBank
DB00150
ZINC
ZINC000000083315
PDB chain
5dce Chain A Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
5dce
The Functional Unit of Neisseria meningitidis 3-Deoxy--Arabino-Heptulosonate 7-Phosphate Synthase Is Dimeric.
Resolution
2.23 Å
Binding residue
(original residue number in PDB)
Q153 L181 S182 S213 V214 V223
Binding residue
(residue number reindexed from 1)
Q148 L176 S177 S208 V209 V218
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:5dce
,
PDBe:5dce
,
PDBj:5dce
PDBsum
5dce
PubMed
26828675
UniProt
Q9K169
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