Structure of PDB 7c18 Chain D Binding Site BS03

Receptor Information
>7c18 Chain D (length=460) Species: 221988 ([Mannheimia] succiniciproducens MBEL55E) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFRIEKDTMGEVQVPADKYWAAQTERSRNNFKIGPAASMPHEIIEAFGYL
KKAAAFANTDLGVLPAEKRDLIGQACDEILARKLDDQFPLVIWQTGSGTQ
SNMNLNEVIANRAHVINGGKLGEKSIIHPNDDVNKSQSSNDTYPTAMHIA
AYKKVVEATIPAVERLQKTLAAKAAEFKDVVKIGRTHLMDATPLTLGQEF
SGYAAQLSFGLTAIKNTLPHLRQLALGGTAVGTGLNTPKGYDVKVAEYIA
KFTGLPFITAENKFEALATHDAIVETHGALKQVAMSLFKIANDIRLLASG
PRSGIGEILIPENEPGCSIMPGKVNPTQCEAMTMVAAQVLGNDTTISFAG
SQGHFELNVFKPVMAANFLQSAQLIADVCISFDEHCATGIQPNTPRIQHL
LDSSLMLVTALNTHIGYENAAKIAKTAHKNGTTLREEAINLGLVSAEDFD
KWVVPADMVG
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 C Residue 502 [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)		C319 S320 M322 K325 N327
Binding residue
(residue number reindexed from 1)		C317 S318 M320 K323 N325
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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