Structure of PDB 4ccq Chain B

Receptor sequence

>4ccqB (length=312) Species: 5759 (Entamoeba histolytica)

NIHDVVIIGSGPAAHTAAIYLGRSSLKPVMYEGFMAGGVAAGGQLTTTTI
IENFPGFPNGIDGNELMMNMRTQSEKYGTTIITETIDHVDFSTQPFKLFT
EEGKEVLTKSVIIATGATAKRMHVPGEDKYWQNGVSACAICDGAVPIFRN
KVLMVVGGGDAAMEEALHLTKYGSKVIILHRRDAFRASKTMQERVLNHPK
IEVIWNSELVELEGDGDLLNGAKIHNLVSGEYKVVPVAGLFYAIGHSPNS
KFLGGQVKTADDGYILTEGPKTSVDGVFACGDVCDRVYRQAIVAAGSGCM
AALSCEKWLQTH

3D structure

• PDB: 4ccq X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
• Chain: B
• Resolution: 1.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C140 C143 D144 D162 E166
• Catalytic site (residue number reindexed from 1): C138 C141 D142 D160 E164
• Enzyme Commision number: 1.8.1.9: thioredoxin-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	NAP	B	G160 G161 D162 A163 H182 R183 R184 R188 A245 I246 Y290 R291 Q292	G158 G159 D160 A161 H180 R181 R182 R186 A243 I244 Y288 R289 Q290
BS02	FAD	B	I10 G11 S12 G13 P14 A15 Y33 E34 G35 A38 V41 A42 G45 Q46 L47 T50 I53 N55 T87 I88 T117 G118 G283 D284 R291 Q292 A293	I8 G9 S10 G11 P12 A13 Y31 E32 G33 A36 V39 A40 G43 Q44 L45 T48 I51 N53 T85 I86 T115 G116 G281 D282 R289 Q290 A291

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004791 thioredoxin-disulfide reductase (NADPH) activity
• GO:0016491 oxidoreductase activity

Biological Process

• GO:0019430 removal of superoxide radicals
• GO:0045454 cell redox homeostasis

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4ccq, PDBe:4ccq, PDBj:4ccq
• PDBsum: 4ccq
• PubMed: 26876147
• UniProt: C4LW95