Structure of PDB 4dr0 Chain A Binding Site BS02

Receptor Information
>4dr0 Chain A (length=290) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKIYDAANWSKHEDDFTQMFYNQNVKQFWLPEEIALNGDLLTWKYLGKN
EQDTYMKVLAGLTLLDTEQGNTGMPIVAEHVDGHQRKAVLNFMAMMENAV
HAKSYSNIFMTLAPTETINEVFEWVKQNKYLQKKAQMIVGLYKAIQKDDE
ISLFKAMVASVYLESFLFYSGFYYPLYFYGQGKLMQSGEIINLILRDEAI
HGVYVGLLAQEIYNKQTEEKKAELREFAIDLLNQLYENELEYTEDLYDQV
GLSHDVKKFIRYNANKALMNLGFDPYFEEEDINPIVLNGL
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 A Residue 402 [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)		D66 E97 H101 E198
Binding residue
(residue number reindexed from 1)		D66 E97 H101 E198
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y105 D197
Catalytic site (residue number reindexed from 1) Y105 D197
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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