Structure of PDB 8cci Chain A

Receptor sequence
>8cciA (length=305) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence]
TVHDVIIIGSGPAGYTAAIYAARAQLKPLVFEGTQFGGALMTTTEVENYP
GFREGITGPELMDQMREQALRFGADLRMEDVDAVQLEGPVKTVVVGDETH
QARAVILAMGAAARHLGVPGEEALTGMGVSTCATCDGFFFRDQDIVVVGG
GDSAMEEATFLTRFARSVTLIHRRDEFRASKIMLERARANEKITFLTNTE
ITQIEGDPKVTGVRLRDTVTGEESKLDVTGVFVAIGHDPRSELVRGQVEL
DDEGYVKVQGRTTYTSLDGVFAAGDLVDHTYRQAITAAGSGCAASIDAER
WLAEQ
3D structure
PDB8cci Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
ChainA
Resolution1.56 Å
3D
structure
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Enzymatic activity
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 FAD A I13 G14 S15 G16 P17 A18 E37 G38 Q40 G43 A44 L45 N53 D85 V86 M114 G115 T136 C140 G279 D280 R287 Q288 A289 A292 I8 G9 S10 G11 P12 A13 E32 G33 Q35 G38 A39 L40 N48 D80 V81 M109 G110 T131 C135 G274 D275 R282 Q283 A284 A287
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cci, PDBe:8cci, PDBj:8cci
PDBsum8cci
PubMed37574972
UniProtA0R7I9

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