Structure of PDB 6btl Chain A

Receptor sequence
>6btlA (length=492) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence]
MSKAFDLVVIGAGSGGLEAGWNAATLYGKRVAVVDVQTSHGPPFYAALGG
TCVNVGCVPKKLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKN
EAVLDINKSYEGMFNDTEGLDFFLGWGSLESKNVVVVRETADPKSAVKER
LQADHILLATGSWPQMPAIPGIEHCISSNEAFYLPEPPRRVLTVGGGFIS
VEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTKQLTANGIEIM
TNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVG
VKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVF
GNKPRKTDHTRVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLM
HNISGSKYKKFVAKIVTNHSDGTVLGVHLLGDGAPEIIQAVGVCLRLNAK
ISDFYNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKLPDSNL
3D structure
PDB6btl Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChainA
Resolution2.797 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S14 L48 C52 C57 K60 G85 S86 F198 E202 I339 G459 H461 E466 E485 K486
Catalytic site (residue number reindexed from 1) S14 L48 C52 C57 K60 G85 S86 F198 E202 I339 G459 H461 E466 E485 K486
Enzyme Commision number 1.8.1.12: trypanothione-disulfide reductase.
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 FAD A I10 G11 G13 S14 V34 D35 V36 G50 T51 C52 G56 C57 K60 G127 A159 T160 G161 R287 R290 G326 D327 M333 L334 T335 I10 G11 G13 S14 V34 D35 V36 G50 T51 C52 G56 C57 K60 G127 A159 T160 G161 R287 R290 G326 D327 M333 L334 T335
BS02 RD7 A W21 Y110 M113 D116 W21 Y110 M113 D116
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004791 thioredoxin-disulfide reductase (NADPH) activity
GO:0015036 disulfide oxidoreductase activity
GO:0015042 trypanothione-disulfide reductase (NADPH) activity
GO:0016491 oxidoreductase activity
GO:0016668 oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0045454 cell redox homeostasis
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0020015 glycosome
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6btl, PDBe:6btl, PDBj:6btl
PDBsum6btl
PubMed29624890
UniProtQ389T8

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