Structure of PDB 6t4v Chain D Binding Site BS01

Receptor Information
>6t4v Chain D (length=276) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPGQRFREAVATEHPLQVVGTINANHALLAKRAGFKAIYLSGGGVAAGS
LGLPDLGISGLDDVLTDVRRITDVCDLPLLVDVDTGFGSSAFNVARTVKS
MIKFGAAAMHIEDQVEIVSQQEMVDRIKAAVDARSDDSFVIMARTDALAV
EGLQAAIDRACACVEAGADMIFPEAMTELAMYKEFAAAVKVPVLANITEF
GATPLFTTDELASADVSLVLYPLSAFRAMNKAAENVYTAIRRDGTQKNVI
DTMQTRMELYDRIDYHSFEQKLDALF
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain6t4v Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6t4v Crystal structure of 2-methylisocitrate lyase (PrpB) from Pseudomonas aeruginosa in apo form.
Resolution1.807 Å
Binding residue
(original residue number in PDB)		F92 N98 R101
Binding residue
(residue number reindexed from 1)		F87 N93 R96
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Y45 S47 G48 G49 D60 D87 D89 H115 E117 R160 E190 N212 T219 L221
Catalytic site (residue number reindexed from 1) Y40 S42 G43 G44 D55 D82 D84 H110 E112 R144 E174 N196 T203 L205
Enzyme Commision number 4.1.3.30: methylisocitrate lyase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016833 oxo-acid-lyase activity
GO:0046421 methylisocitrate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0019629 propionate catabolic process, 2-methylcitrate cycle

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Molecular Function
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Biological Process
External links
PDB RCSB:6t4v, PDBe:6t4v, PDBj:6t4v
PDBsum6t4v
PubMed
UniProtQ9I5E2

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