Structure of PDB 5f91 Chain C

Receptor sequence
>5f91C (length=448) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence]
NYRIEHDTMGEVRVPAKALWRAQTQRAVENFPISGRGLERTQIRALGLLK
GACAQVNSDLGLLAPEKADAIIAAAAEIADGQHDDQFPIDVFQTGSGTSS
NMNTNEVIASIAAKGGVTLHPNDDVNMSQSSNDTFPTATHIAATEAAVAH
LIPALQQLHDALAAKALDWHTVVKSGRTHLMDAVPVTLGQEFSGYARQIE
AGIERVRACLPRLGELAIGGTAVGTGLNAPDDFGVRVVAVLVAQTGLSEL
RTAANSFEAQAARDGLVEASGALRTIAVSLTKIANDIRWMGSGPLTGLAE
IQLPDLVNPVLPEAVTQVAAQVIGNDAAIAWGGANGAFELNVYIPMMARN
ILESFKLLTNVSRLFAQRCIAGLTANVEHLRRLAESSPSIVTPLNSAIGY
EEAAAVAKQALKERKTIRQTVIDRGLIGDRLSIEDLDRRLDVLAMAKA
3D structure
PDB5f91 Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
ChainC
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 E331
Catalytic site (residue number reindexed from 1) T178 H179 E313
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 C A307 H397 R400 L401 R432 A299 H379 R382 L383 R414 MOAD: Ki=3.2uM
PDBbind-CN: -logKd/Ki=5.20,Ki=6.3uM
BS02 5WJ C L303 T304 L429 R432 L295 T296 L411 R414 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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