Structure of PDB 5vit Chain I Binding Site BS01

Receptor Information
>5vit Chain I (length=548) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPPQWSRRRQEKQRRLERVRGLADGAVLPREGLVAALEALIAPGDRVVLE
GNNQKQADFLSRSLARVDPGKLHDLHMIMPSVGRPEHLDLFELGIARKLD
FSFSGPQSLRIGQLLEDGLLEIGAIHTYIELYARLVVDLIPNVALVAGFV
ADREGNVYTGPSTEDTPALVEPTAFSDGIVIVQVNRIVDDPRDLPRVDIP
ASWVDFVVEADQPFYIEPLFTRDPRHIKPVHVLMAMMAIRGIYQRHNVQS
LNHGIGFNTAAIELILPTYGESLGLKGKICRHWTLNPHPTLIPAIESGWV
ESVHCFGTELGMEGYIAQRPDVFFTGRDGSLRSNRMFCQLAGQYAVDLFI
GATLQVDGDGHSSTVTRGRLAGFGGAPNMGHDPRGRRHSTPAWLDMRGEP
EALLERGRKLVVQMVETFQDGGKPTFVERLDALEVARQTGMPLAPVMIYG
DDVTHVLTEEGIAYLYKARSLEERQAMIAAVAGISPIGLRHDPRETQRMR
REGLIALPEDLGIRRTDASRELLAAKSIAELVEWSGGLYQPPARFRSW
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 chain5vit Chain I Residue 601 [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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PDB5vit Crystal structure of a Pseudomonas malonate decarboxylase holoenzyme hetero-tetramer.
Resolution2.203 Å
Binding residue
(original residue number in PDB)		N59 F226 N292 F312 R341 Q345
Binding residue
(residue number reindexed from 1)		N53 F220 N286 F306 R335 Q339
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:5vit, PDBe:5vit, PDBj:5vit
PDBsum5vit
PubMed28757619
UniProtQ9I6T0

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