Structure of PDB 5vfb Chain B Binding Site BS01

Receptor Information
>5vfb Chain B (length=724) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TERVQVGGLQVAKVLFDFVNNEAIPGTGVSADTFWTGAEAVINDLAPKNK
ALLAKRDELQAKIDGWHQARAGQAHDAVAYKAFLEEIGYLLPEAEDFQAG
TQNVDDEIARMAGPQLVVPVMNARFALNASNARWGSLYDALYGTDVISEE
GGAEKGKGYNKVRGDKVIAFARAFLDEAAPLESGSHVDATSYSVKNGALV
VALKNGSETGLKNAGQFLAFQGDAAKPQAVLLKHNGLHFEIQIDPSSPVG
QTDAAGVKDVLMEAALTTIMDCEDSVAAVDADDKVVIYRNWLGLMKGDLA
EEVSKGGSTFTRTMNPDRVYTRADGSELTLHGRSLLFVRNVGHLMTNDAI
LDKDGNEVPEGIQDGLFTSLIAIHDLNGNTSRKNSRTGSVYIVKPKMHGP
EEAAFTNELFGRVEDVLGLPRNTLKVGIMDEERRTTVNLKACIKAAKDRV
VFINTGFLDRTGDEIHTSMEAGAVVRKGAMKSEKWIGAYENNNVDVGLAT
GLQGKAQIGKGMWAMPDLMAAMLEQKIGHPLAGANTAWVPSPTAATLHAL
HYHKVDVFARQAELAKRTPASVDDILTIPLAPNTNWTAEEIKNEVDNNAQ
GILGYVVRWIDQGVGCSKVPDINDVGLMEDRATLRISSQLLANWLRHGVI
SQEQVVESLKRMAVVVDRQNASDPSYRPMAPNFDDNVAFQAALELVVEGT
RQPNGYTEPVLHRRRREFKAKNGL
Ligand information
Ligand IDGOA
InChIInChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKeyAEMRFAOFKBGASW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CO
OpenEye OEToolkits 1.7.0C(C(=O)O)O
CACTVS 3.370OCC(O)=O
FormulaC2 H4 O3
NameGLYCOLIC ACID;
HYDROXYACETIC ACID;
HYDROXYETHANOIC ACID
ChEMBLCHEMBL252557
DrugBankDB03085
ZINCZINC000004658557
PDB chain5vfb Chain B Residue 809 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vfb 1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		E432 G457 L459 D460 W539
Binding residue
(residue number reindexed from 1)		E431 G456 L458 D459 W538
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D272 E274 R340 E432 D460 D631
Catalytic site (residue number reindexed from 1) D271 E273 R339 E431 D459 D630
Enzyme Commision number 2.3.3.9: malate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004474 malate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0009436 glyoxylate catabolic process
Cellular Component
GO:0005737 cytoplasm
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:5vfb, PDBe:5vfb, PDBj:5vfb
PDBsum5vfb
PubMed
UniProtQ9I636|MASZ_PSEAE Malate synthase G (Gene Name=glcB)

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