Structure of PDB 3n3a Chain A Binding Site BS02
Receptor Information
>3n3a Chain A (length=282) Species:
83333
(Escherichia coli K-12) [
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ISAINWNKISDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLTVVEQQL
TMRVFTGLTLLDTLQNVIGAPSLMPDALTPHEEAVLSNISFMEAVHARSY
SSIFSTLCQTKDVDAAYAWSEENAPLQRKAQIIQQHYRGDDPLKKKIASV
FLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQK
NMEKISLGQREELKSFAFDLLLELYDNELQYTDELYAETPWADDVKAFLC
YNANKALMNLGYEPLFPAEMAEVNPAILAALS
Ligand information
Ligand ID
MN
InChI
InChI=1S/Mn/q+2
InChIKey
WAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341
[Mn++]
Formula
Mn
Name
MANGANESE (II) ION
ChEMBL
DrugBank
DB06757
ZINC
PDB chain
3n3a Chain A Residue 321 [
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Receptor-Ligand Complex Structure
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PDB
3n3a
Structural basis for activation of class Ib ribonucleotide reductase.
Resolution
1.99 Å
Binding residue
(original residue number in PDB)
D67 E98 H101 E158 E192
Binding residue
(residue number reindexed from 1)
D62 E93 H96 E153 E187
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
Y105 D191
Catalytic site (residue number reindexed from 1)
Y100 D186
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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Biological Process
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Cellular Component
External links
PDB
RCSB:3n3a
,
PDBe:3n3a
,
PDBj:3n3a
PDBsum
3n3a
PubMed
20688982
UniProt
P37146
|RIR4_ECOLI Ribonucleoside-diphosphate reductase 2 subunit beta (Gene Name=nrdF)
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