Structure of PDB 6c0e Chain A Binding Site BS02

Receptor Information
>6c0e Chain A (length=419) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTYDKIKVPAQGEAITVAADHSLHVPDNPIIPFIEGDGIGVDVTPPMIR
VVDAAVQKAYGNKRKISWMEVYAGEKATKVYGGDQWLPKETLDAMKKYVV
SIKGPLTTPVGGGIRSLNVAIRQDMDLYVCLRPIRYFNGVPSPVREPWKT
DMVIFRENSEDIYAGIEWQADTPEAKKVIQFLTKEMGVKKIRFPEHCGIG
VKPVSREGTTRLVKAAIQYAIDNDRSTVTLVHKGNIMKFTEGAFKDWGYQ
VARDSFGAKEYQGGPWMEFKNPKTGKQIIINDVIADAFLQQILLRPEDYS
VIATLNLNGDYISDALAAQVGGIGIAPGANISDQMAVFEATHGTAPKYAG
QNKVNPGSIILSAEMMLRHMGWYEAADLIIRGMEGAIEAKTVTYDFERGM
QGATLVSSSGFADAMIKHM
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain6c0e Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c0e Crystal Structure of Isocitrate Dehydrogenase from Legionella pneumophila with bound NADPH with an ??-ketoglutarate adduct
Resolution1.7 Å
Binding residue
(original residue number in PDB)		S26 L27 H28
Binding residue
(residue number reindexed from 1)		S23 L24 H25
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y166 K236 D289 D313
Catalytic site (residue number reindexed from 1) Y163 K233 D286 D310
Enzyme Commision number 1.1.1.42: isocitrate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004450 isocitrate dehydrogenase (NADP+) activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
GO:0051287 NAD binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6c0e, PDBe:6c0e, PDBj:6c0e
PDBsum6c0e
PubMed
UniProtQ5ZXB6

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