Structure of PDB 6g3u Chain A Binding Site BS02

Receptor Information
>6g3u Chain A (length=737) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKITYTFTDEAPALATYSLLPIVKAFAASAGIDVETSDISLAGRILANFA
DRLEADQRIEDDLARLAVLATSPDANIIKLPNISASVPQLKGAIAELQGL
GYKVPDFPEDPQTDEEKEVRARYAKILGSAVNPVLREGNSDRRAPAAVKA
YARKHPHSMGKWSMASRSHADYMRGGDFFSSEQSITMAKAGDVRIEFVGK
DGKVEVKKQLSLQEGEVLDSMFMSCGKLRDFFEKTLQDCKETGVMWSLHV
KATMMKISHPIVFGHAVSVYYKDVFDKWGQLFEELGVNPNNGISSVYDKI
KSLPASQQEEILHDIHEVYSHRPEMAMVDSVKGITNLHIPSDVIVDASMP
AMIRNSGQMWGKDGKQKDTKAVMPESTYARIYQEMINFCKTNGAFDPTTM
GSVPNVGLMAQKAEEYGSHDKTFEMTADGTMRVVLADGSVLMQHKVETGD
IWRACQTKDAPIRDWVKLAVTRARQSDTPAIFWLDPERAHDRELRKKVEL
YLKDHDLTGLDISIMGYNEAIRVSMERLIRGKDTISVTGNVLRDYLTDLF
PIMELGTSAKMLSIVPLMAGGGMYETGAGGSAPKHVQQLVEENYLRWDSL
GEFLALAVSLEETGIKTGNAKAKLLGKALDEATGKLLDNNKSPSRKVGDI
DNRGSHFYLAMYWAQALAAQNEDAELKAHFAPLAKALTEQEATIVAELNA
VQGKPAEIGGYYRSNPELTSKVMRPSATFNAAIDSLA
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain6g3u Chain A Residue 802 [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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PDB6g3u Gluconeogenic precursor availability regulates flux through the glyoxylate shunt inPseudomonas aeruginosa.
Resolution2.707 Å
Binding residue
(original residue number in PDB)		S88 S133 R146 K255 Y420 R547 D548
Binding residue
(residue number reindexed from 1)		S84 S129 R142 K251 Y416 R543 D544
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.42: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004450 isocitrate dehydrogenase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6g3u, PDBe:6g3u, PDBj:6g3u
PDBsum6g3u
PubMed30030382
UniProtQ9I0L4

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