Structure of PDB 6a2f Chain B Binding Site BS04

Receptor Information
>6a2f Chain B (length=358) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRPLVATVDLSAIRHNYALAKRCAPQRQAFAVVKANAYGHGAREVVTALH
DDADGFAVACLEEAAEVRALHASARILLLEGCFEASEYALAGQLRLDLVI
QGAEQGEAFLAAGLDIPLNVWLKLDSGMHRLGFDPAALRAWHARLRSHPG
VRELNLISHFACADERNHPLTEQQLESFLGLLDLDFDQRSLANSAAVLTI
PAAHMDWLRPGIMLYGSTPLADLSAAELGLKPAMSLGAQLISLREVAVGE
SVGYGATWIAERPARIGTVSCGYADGYPRTAPAGTPVLVGGRRAILAGRV
SMDMLAVDLSDLPEARVGDPVELWGAGLSVDEVARACGTLGYELLSKVTA
RVPRRYSH
Ligand information
Ligand IDMLI
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(=O)[O-]
FormulaC3 H2 O4
NameMALONATE ION
ChEMBL
DrugBankDB02201
ZINC
PDB chain6a2f Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6a2f Enzymatic characterization and crystal structure of biosynthetic alanine racemase from Pseudomonas aeruginosa PAO1.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K123 M128 R130 L131
Binding residue
(residue number reindexed from 1)		K123 M128 R130 L131
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K34 R130 H159 R209 Y254 S301 D303
Catalytic site (residue number reindexed from 1) K34 R130 H159 R209 Y254 S301 D303
Enzyme Commision number 5.1.1.1: alanine racemase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008784 alanine racemase activity
GO:0016853 isomerase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006522 alanine metabolic process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0030632 D-alanine biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6a2f, PDBe:6a2f, PDBj:6a2f
PDBsum6a2f
PubMed29964014
UniProtQ9HUN4|ALR1_PSEAE Alanine racemase, biosynthetic (Gene Name=alr)

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