Structure of PDB 5e9f Chain A Binding Site BS01

Receptor Information
>5e9f Chain A (length=507) Species: 242507 (Pyricularia oryzae 70-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNMVNPAVEPSMEDDLFAREVAEVKQWWSDPRWRYTKRPFTAEQIVSKRG
NLKIEYPSNAQSKKLWKILEGRFQKRDASYTYGCLEPTMVTQMAKYLDTV
YVSGWQSSSTASSSDEPGPDLADYPYTTVPNKVSHLFMAQLFHDRKQRHE
RLSAPKSERSKLQNIDYLRPIIADADTGHGGLTAVMKLTKLFIEKGAAGI
HIEDQAPGTGKVLVPISEHINRLVAIRAQADIMGVDLLAIARTDAEAATL
ITTSIDPRDHAFILGCTNPSLQPLADLMNTAEIEDEWMAKANLKRFDDAV
VDVINSSSSIRNPKDVAAKYLQAAKGKSNREARAIASSLGVPEIFFDWDS
PRTREGYFRIKGGCDCAINRAIAYAPYADAIWMESKLPDYEQAKEFAEGV
HAVYPEQKLAYNLSPSFNWKTAMPRDEQETYIRRLAGLGYCWQFITLAGL
HTTALISDRFARAYSEVGMRAYGELVQEPEMELGVDVVKHQKWSGATYVD
ELQKMVT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5e9f Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5e9f Crystal structure and functional analysis of isocitrate lyases from Magnaporthe oryzae and Fusarium graminearum
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D123 D177 D179
Binding residue
(residue number reindexed from 1)		D120 D174 D176
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y104 D123 D177 D179 H204 E206 R252 E405 Q428 S435 S437
Catalytic site (residue number reindexed from 1) Y101 D120 D174 D176 H201 E203 R242 E384 Q407 S414 S416
Enzyme Commision number 4.1.3.1: isocitrate lyase.
4.1.3.30: methylisocitrate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004451 isocitrate lyase activity
GO:0016829 lyase activity
GO:0046421 methylisocitrate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0009514 glyoxysome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5e9f, PDBe:5e9f, PDBj:5e9f
PDBsum5e9f
PubMed27016285
UniProtP0CT06|ACEA_PYRO7 Isocitrate lyase (Gene Name=ICL1)

[Back to BioLiP]