Structure of PDB 6xpp Chain A

Receptor sequence
>6xppA (length=426) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
SVVGTPKSAEQIQQEWDTNPRWKDVTRTYSAEDVVALQGSVVEEHTLARR
GAEVLWEQLHDLEWVNALGALTGNMAVQQVRAGLKAIYLSGWQVAGDANL
SGHTYPDQSLYPANSVPQVVRRINNALQRADQIAKIEGDTSVENWLAPIV
ADGEAGFGGALNVYELQKALIAAGVAGSHWEDQLASEKKCGHLGGKVLIP
TQQHIRTLTSARLAADVADVPTVVIARTDAEAATLITSDVDERDQPFITG
ERTREGFYRTKNGIEPCIARAKAYAPFADLIWMETGTPDLEAARQFSEAV
KAEYPDQMLAYNCSPSFNWKKHLDDATIAKFQKELAAMGFKFQFITLAGF
HALNYSMFDLAYGYAQNQMSAYVELQEREFAAEERGYTATKHQREVGAGY
FDRIATTVDPNSSTTALTGSTEEGQF
3D structure
PDB6xpp Itaconate is a covalent inhibitor of the Mycobacterium tuberculosis isocitrate lyase.
ChainA
Resolution1.55 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y89 D108 D153 E155 H180 E182 C191 H193 R228 E285 Q308 S315 S317
Catalytic site (residue number reindexed from 1) Y88 D107 D152 E154 H179 E181 C190 H192 R227 E284 Q307 S314 S316
Enzyme Commision number 4.1.3.1: isocitrate lyase.
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 ITN A W93 C191 H193 R228 N313 S315 S317 T347 W92 C190 H192 R227 N312 S314 S316 T346
BS02 MG A A276 A279 Q308 A275 A278 Q307
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004451 isocitrate lyase activity
GO:0016829 lyase activity
GO:0035375 zymogen binding
GO:0046421 methylisocitrate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006097 glyoxylate cycle
GO:0006099 tricarboxylic acid cycle
GO:0006102 isocitrate metabolic process
GO:0019752 carboxylic acid metabolic process
GO:0052572 response to host immune response
GO:0071456 cellular response to hypoxia
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6xpp, PDBe:6xpp, PDBj:6xpp
PDBsum6xpp
PubMed34046597
UniProtP9WKK7|ACEA_MYCTU Isocitrate lyase (Gene Name=icl)

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