Structure of PDB 2rcc Chain B Binding Site BS02

Receptor Information
>2rcc Chain B (length=280) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSWAYPLYKNMLANFWTPFEINMSHDAKQFPTLTETEQEAFKKIIGLLAF
LDSVQTDYSMRAAEYLTDSSLAALMSVLSFQEVVHNQSYSYVLSSLVPKA
TQDEIFEYWKHDDVLKERNEFIIDGYEKFVDNPTPKTFLESIVYDVILEG
LNFYSGFAFFYNLARNQKMVSTSTMINYINRDEQLHVYLFTNIFKELLVE
FPELNTEETKTFVKTTLMKAADLEKDWFRYIIGDKIPGINPEDMETYISF
IANKRAVQLGMEKPYPEIKHNPMKWIRAYE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2rcc Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2rcc Crystal structure of putative class I ribonucleotide reductase (NP_241368.1) from Bacillus halodurans at 1.90 A resolution
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E118 E185 E219 H222
Binding residue
(residue number reindexed from 1)		E82 E149 E183 H186
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y125 D218
Catalytic site (residue number reindexed from 1) Y89 D182
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2rcc, PDBe:2rcc, PDBj:2rcc
PDBsum2rcc
PubMed
UniProtQ9KFH7|RIR2_HALH5 Ribonucleoside-diphosphate reductase subunit beta (Gene Name=nrdB)

[Back to BioLiP]