Structure of PDB 7c18 Chain C Binding Site BS01

Receptor Information
>7c18 Chain C (length=461) Species: 221988 ([Mannheimia] succiniciproducens MBEL55E) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRIEKDTMGEVQVPADKYWAAQTERSRNNFKIGPAASMPHEIIEAFGYLK
KAAAFANTDLGVLPAEKRDLIGQACDEILARKLDDQFPLVIWQTGSGTQS
NMNLNEVIANRAHVINGGKLGEKSIIHPNDDVNKSQSSNDTYPTAMHIAA
YKKVVEATIPAVERLQKTLAAKAAEFKDVVKIGRTHLMDATPLTLGQEFS
GYAAQLSFGLTAIKNTLPHLRQLALGGTAVGTGLNTPKGYDVKVAEYIAK
FTGLPFITAENKFEALATHDAIVETHGALKQVAMSLFKIANDIRLLASGP
RSGIGEILIPENEPGCSIMPGKVNPTQCEAMTMVAAQVLGNDTTISFAGS
QGHFELNVFKPVMAANFLQSAQLIADVCISFDEHCATGIQPNTPRIQHLL
DSSLMLVTALNTHIGYENAAKIAKTAHKNGTTLREEAINLGLVSAEDFDK
WVVPADMVGSL
Ligand information
Ligand IDFUM
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)O)C(=O)O
OpenEye OEToolkits 1.7.6C(=C/C(=O)O)\C(=O)O
CACTVS 3.370OC(=O)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(=O)O
CACTVS 3.370OC(=O)C=CC(O)=O
FormulaC4 H4 O4
NameFUMARIC ACID
ChEMBLCHEMBL503160
DrugBankDB01677
ZINCZINC000003860193
PDB chain7c18 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7c18 Structural studies reveal the molecular mechanism of isocitrate lyase from Chloroflexus aurantiacus
Resolution2.12 Å
Binding residue
(original residue number in PDB)		T188 H189
Binding residue
(residue number reindexed from 1)		T185 H186
Annotation score5
Enzymatic activity
Enzyme Commision number 4.2.1.2: fumarate hydratase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004333 fumarate hydratase activity
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006106 fumarate metabolic process
GO:0006108 malate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c18, PDBe:7c18, PDBj:7c18
PDBsum7c18
PubMed
UniProtQ65UJ3

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