Structure of PDB 4dr0 Chain B Binding Site BS01

Receptor Information
>4dr0 Chain B (length=291) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIYDAANWSKHEDDFTQMFYNQNVKQFWLPEEIALNGDLLTWKYLGKNEQ
DTYMKVLAGLTLLDTEQGNTGMPIVAEHVDGHQRKAVLNFMAMMENAVHA
KSYSNIFMTLAPTETINEVFEWVKQNKYLQKKAQMIVGLYKAIQKDDEIS
LFKAMVASVYLESFLFYSGFYYPLYFYGQGKLMQSGEIINLILRDEAIHG
VYVGLLAQEIYNKQTEEKKAELREFAIDLLNQLYENELEYTEDLYDQVGL
SHDVKKFIRYNANKALMNLGFDPYFEEEDINPIVLNGLNTK
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 chain4dr0 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dr0 The Dimanganese(II) Site of Bacillus subtilis Class Ib Ribonucleotide Reductase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E97 E164 E198 H201
Binding residue
(residue number reindexed from 1)		E95 E162 E196 H199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y105 D197
Catalytic site (residue number reindexed from 1) Y103 D195
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:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0009263 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:4dr0, PDBe:4dr0, PDBj:4dr0
PDBsum4dr0
PubMed22443445
UniProtP50621|RIR2_BACSU Ribonucleoside-diphosphate reductase subunit beta (Gene Name=nrdF)

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