Structure of PDB 5e9g Chain A Binding Site BS02

Receptor Information
>5e9g Chain A (length=524) Species: 242507 (Pyricularia oryzae 70-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMVNPAVEPSMEDDLFAREVAEVKQWWSDPRWRYTKRPFTAEQIVSKRGN
LKIEYPSNAQSKKLWKILEGRFQKRDASYTYGCLEPTMVTQMAKYLDTVY
VSGWQSSSTASSSDEPGPDLADYPYTTVPNKVSHLFMAQLFHDRKQRHER
LSAPKSERSKLQNIDYLRPIIADADTGHGGLTAVMKLTKLFIEKGAAGIH
IEDQAPGTKKCGHMGGKVLVPISEHINRLVAIRAQADIMGVDLLAIARTD
AEAATLITTSIDPRDHAFILGCTNPSLQPLADLMNTAEQSGKTGDQLQAI
EDEWMAKANLKRFDDAVVDVINSSSSIRNPKDVAAKYLQAAKGKSNREAR
AIASSLGVPEIFFDWDSPRTREGYFRIKGGCDCAINRAIAYAPYADAIWM
ESKLPDYEQAKEFAEGVHAVYPEQKLAYNLSPSFNWKTAMPRDEQETYIR
RLAGLGYCWQFITLAGLHTTALISDRFARAYSEVGMRAYGELVQEPEMEL
GVDVVKHQKWSGATYVDELQKMVT
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain5e9g Chain A Residue 602 [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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PDB5e9g Crystal structure and functional analysis of isocitrate lyases from Magnaporthe oryzae and Fusarium graminearum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H217 N433 S435 T467
Binding residue
(residue number reindexed from 1)		H213 N429 S431 T463
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y104 D123 D177 D179 H204 E206 C215 H217 R252 E405 Q428 S435 S437
Catalytic site (residue number reindexed from 1) Y100 D119 D173 D175 H200 E202 C211 H213 R248 E401 Q424 S431 S433
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5e9g, PDBe:5e9g, PDBj:5e9g
PDBsum5e9g
PubMed27016285
UniProtP0CT06|ACEA_PYRO7 Isocitrate lyase (Gene Name=ICL1)

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