Structure of PDB 3n39 Chain A Binding Site BS02

Receptor Information
>3n39 Chain A (length=282) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAINWNKISDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLTVVEQQLT
MRVFTGLTLLDTLQNVIGAPSLMPDALTPHEEAVLSNISFMEAVHARSYS
SIFSTLCQTKDVDAAYAWSEENAPLQRKAQIIQQHYRGDDPLKKKIASVF
LESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQKN
MEKISLGQREELKSFAFDLLLELYDNELQYTDELYAETPWADDVKAFLCY
NANKALMNLGYEPLFPAEMAEVNPAILAALSP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3n39 Chain A Residue 321 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n39 Structural basis for activation of class Ib ribonucleotide reductase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D67 E98 H101 E158 E192
Binding residue
(residue number reindexed from 1)		D61 E92 H95 E152 E186
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y105 D191
Catalytic site (residue number reindexed from 1) Y99 D185
Enzyme Commision number 1.17.4.1: ribonucleoside-diphosphate reductase.
Gene Ontology
Molecular Function
GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009185 ribonucleoside diphosphate metabolic process
GO:0009263 deoxyribonucleotide biosynthetic process
GO:0009265 2'-deoxyribonucleotide biosynthetic process
Cellular Component
GO:0005971 ribonucleoside-diphosphate reductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3n39, PDBe:3n39, PDBj:3n39
PDBsum3n39
PubMed20688982
UniProtP37146|RIR4_ECOLI Ribonucleoside-diphosphate reductase 2 subunit beta (Gene Name=nrdF)

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