Structure of PDB 3qtt Chain A Binding Site BS02
Receptor Information
>3qtt Chain A (length=261) Species:
119856
(Francisella tularensis subsp. tularensis) [
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AMIIADNIKQFHSIRNSLIKQQKIGFVPTMGALHNGHISLIKKAKSENDV
VIVSIFVNPTQFNNPNDYQTYPNQLQQDIQILASLDVDVLFNPSEKDIYP
DGNLLRIEPKLEIANILEGKSRPGHFSGMLTVVLKLLQITKPNNLYLGEK
DYQQVMLIKQLVKDFFINTKIIVCPTQRQPSGLPLSSRNKNLTSTDIEIA
NKIYEILRQDDFSNLEELTNKINSTGAKLQYIQKLNNRIFLAFYIGKVRL
IDNFLKETGPS
Ligand information
Ligand ID
PRO
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey
ONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1C[C@H](NC1)C(=O)O
CACTVS 3.341
OC(=O)[C@@H]1CCCN1
CACTVS 3.341
OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0
C1CC(NC1)C(=O)O
ACDLabs 10.04
O=C(O)C1NCCC1
Formula
C5 H9 N O2
Name
PROLINE
ChEMBL
CHEMBL54922
DrugBank
DB00172
ZINC
ZINC000000895360
PDB chain
3qtt Chain A Residue 274 [
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Receptor-Ligand Complex Structure
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PDB
3qtt
Crystal Structure of Pantoate-beta-alanine Ligase from Francisella tularensis Complexed with Beta-gamma ATP and Beta-alanine.
Resolution
2.599 Å
Binding residue
(original residue number in PDB)
M32 Q63 M131 V135 Q156
Binding residue
(residue number reindexed from 1)
M30 Q61 M129 V133 Q154
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
M32 H36 H39 Q79 D80 I83 K152 S188 S189 R190
Catalytic site (residue number reindexed from 1)
M30 H34 H37 Q77 D78 I81 K150 S186 S187 R188
Enzyme Commision number
6.3.2.1
: pantoate--beta-alanine ligase (AMP-forming).
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0004592
pantoate-beta-alanine ligase activity
GO:0005524
ATP binding
GO:0016874
ligase activity
Biological Process
GO:0009058
biosynthetic process
GO:0015940
pantothenate biosynthetic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:3qtt
,
PDBe:3qtt
,
PDBj:3qtt
PDBsum
3qtt
PubMed
UniProt
Q5NF57
|PANC_FRATT Pantothenate synthetase (Gene Name=panC)
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