Structure of PDB 4ccq Chain A

Receptor sequence

>4ccqA (length=313) Species: 5759 (Entamoeba histolytica)

SNIHDVVIIGSGPAAHTAAIYLGRSSLKPVMYEGFMAGGVAAGGQLTTTT
IIENFPGFPNGIDGNELMMNMRTQSEKYGTTIITETIDHVDFSTQPFKLF
TEEGKEVLTKSVIIATGATAKRMHVPGEDKYWQNGVSACAICDGAVPIFR
NKVLMVVGGGDAAMEEALHLTKYGSKVIILHRRDAFRASKTMQERVLNHP
KIEVIWNSELVELEGDGDLLNGAKIHNLVSGEYKVVPVAGLFYAIGHSPN
SKFLGGQVKTADDGYILTEGPKTSVDGVFACGDVCDRVYRQAIVAAGSGC
MAALSCEKWLQTH

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: A
• 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): C139 C142 D143 D161 E165
• 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	A	G160 G161 D162 A163 E166 H182 R183 R184 R188 I246	G159 G160 D161 A162 E165 H181 R182 R183 R187 I245
BS02	FAD	A	I10 G11 S12 G13 P14 A15 Y33 E34 G35 A38 V41 A42 G45 Q46 L47 T50 N55 T87 I88 T117 G118 H248 G283 D284 R291 Q292 A293 A296	I9 G10 S11 G12 P13 A14 Y32 E33 G34 A37 V40 A41 G44 Q45 L46 T49 N54 T86 I87 T116 G117 H247 G282 D283 R290 Q291 A292 A295

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