Structure of PDB 5f91 Chain A

Receptor sequence
>5f91A (length=447) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence]
NYRIEHEVRVPAKALWRAQTQRAVENFPISGRGLERTQIRALGLLKGACA
QVNSDLGLLAPEKADAIIAAAAEIADGQHDDQFPIDVFQTGSGTSSNMNT
NEVIASIAAKGGVTLHPNDDVNMSQSSNDTFPTATHIAATEAAVAHLIPA
LQQLHDALAAKALDWHTVVKSGRTHLMDAVPVTLGQEFSGYARQIEAGIE
RVRACLPRLGELAIGGTAVGTGLNAPDDFGVRVVAVLVAQTGLSELRTAA
NSFEAQAARDGLVEASGALRTIAVSLTKIANDIRWMGSGPLTGLAEIQLP
DLQKVNPVLPEAVTQVAAQVIGNDAAIAWGGANGAFELNVYIPMMARNIL
ESFKLLTNVSRLFAQRCIAGLTANVEHLRRLAESSPSIVTPLNSAIGYEE
AAAVAKQALKERKTIRQTVIDRGLIGDRLSIEDLDRRLDVLAMAKAE
3D structure
PDB5f91 Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
ChainA
Resolution1.998 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T186 H187 K324 E331
Catalytic site (residue number reindexed from 1) T174 H175 K304 E311
Enzyme Commision number 4.2.1.2: fumarate hydratase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 5WJ A L303 T304 L429 R432 L291 T292 L409 R412 MOAD: Ki=3.2uM
PDBbind-CN: -logKd/Ki=5.20,Ki=6.3uM
BS02 5WJ A A307 N394 H397 R400 L401 R432 A295 N374 H377 R380 L381 R412 MOAD: Ki=3.2uM
PDBbind-CN: -logKd/Ki=5.20,Ki=6.3uM
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
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5f91, PDBe:5f91, PDBj:5f91
PDBsum5f91
PubMed27325754
UniProtP9WN93|FUMC_MYCTU Fumarate hydratase class II (Gene Name=fumC)

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