Structure of PDB 8p28 Chain A Binding Site BS04

Receptor Information
>8p28 Chain A (length=645) Species: 165179 (Segatella copri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQTVVKRDGRIVGFNEQKIMAAIRKAMLHTDKGEDTTLIEQITDHISYR
GKSQMSVEAIQDAIEMELMKSARKDVAQKYIAYRNQRNIARKAKTRDVFM
SDTPAGMMMKFASETTKPFVDDYLLSEDVRDAVMHNYIHIHDKDYYPTKS
LTCVQHPLDVILNHGFTAGHGSSRPAKRIETAAVLACISLETCQNEMHGG
QAIPAFDFYLAPYVRMSYQEEVKNLEKLTGEDLSNLYDAPIDDYIEKPLD
GLQGRERLEQHAINKTVNRVHQAMEAFIHNMNTIHSRVFSSINYGTDTSA
EGRCIMREILQSTYQGVGNGETAIFPIQIWKKKRGVNYLPEDRNYDLYKL
ACKVTARRFFPNFLNLDATFNQNEKWRADDPERYKWEIATMGCRTRVFED
RWGEKTSIARGNLSFSTINIVKLAIECMGIENEKQRIDMFFAKLDNILDI
TAKQLDERFQFQKTAMAKQFPLLMKYLWVGAENLKPEETIESVINHGTLG
IGFIGLAECLVALIGKHHGESEKAQELGLKIITYMRDRANEFSEQYHHNY
SILATPAEGLSGKFTKKDRKQFGVIPGVTDRDYYTNSNHVPVYYKCTALK
KAQIEAPYHDLTRGGHIFYVEINPSVIESVVDMMDKYNMGYGSVN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8p28 Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8p28 Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site
Resolution2.77 Å
Binding residue
(original residue number in PDB)		Q290 E293
Binding residue
(residue number reindexed from 1)		Q272 E275
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.4.2: ribonucleoside-triphosphate reductase (thioredoxin).
Gene Ontology
Molecular Function
GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
GO:0005524 ATP binding
GO:0008998 ribonucleoside-triphosphate reductase (thioredoxin) activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006260 DNA replication
GO:0009265 2'-deoxyribonucleotide biosynthetic process
Cellular Component
GO:0031250 anaerobic ribonucleoside-triphosphate reductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8p28, PDBe:8p28, PDBj:8p28
PDBsum8p28
PubMed38968292
UniProtA0A3E4SF67

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