Structure of PDB 1gxf Chain B

Receptor sequence

>1gxfB (length=483) Species: 5693 (Trypanosoma cruzi)

IFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCV
NVGCVPKKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKNLIAVKDEAV
LNINKSYDEMFRDTEGLEFFLGWGSLESKNVVNVRESADPASAVKERLET
EHILLASGSWPHMPNIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEF
AGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELTKQLTANGIQILTKE
NPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNAGVMI
KNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTTP
RKTDHTRVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHKVS
GSKYKTFVAKIITNHSDGTVLGVHLLGDNAPEIIQGIGICLKLNAKISDF
YNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKP

3D structure

• PDB: 1gxf Two Interacting Binding Sites for Quinacrine Derivatives in the Active Site of Trypanothione Reductase: A Template for Drug Design
• Chain: B
• Resolution: 2.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S15 L49 C53 C58 K61 R86 T87 F199 E203 I339 G459 H461 E466 E485 K486
• Catalytic site (residue number reindexed from 1): S11 L45 C49 C54 K57 R82 T83 F195 E199 I335 G455 H457 E462 E481 K482
• 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	B	H461 K486 P487	H457 K482 P483
BS02	FAD	B	I11 G12 G14 D36 V37 S47 G51 T52 G57 C58 K61 G128 S161 G162 R288 R291 G326 D327 M333 L334 T335	I7 G8 G10 D32 V33 S43 G47 T48 G53 C54 K57 G124 S157 G158 R284 R287 G322 D323 M329 L330 T331
BS03	QUM	B	L18 E19 W22 Y111 E113 M114 D117	L14 E15 W18 Y107 E109 M110 D113
BS04	QUM	B	E19 C53 S110 Y111 I339	E15 C49 S106 Y107 I335

Gene Ontology

Molecular Function

• GO:0004362 glutathione-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:0050660 flavin adenine dinucleotide binding

Biological Process

• GO:0006749 glutathione metabolic process
• GO:0034599 cellular response to oxidative stress
• GO:0045454 cell redox homeostasis
• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:1gxf, PDBe:1gxf, PDBj:1gxf
• PDBsum: 1gxf
• PubMed: 15102853
• UniProt: P28593|TYTR_TRYCR Trypanothione reductase (Gene Name=TPR)