Structure of PDB 1u8r Chain B Binding Site BS03

Receptor Information
>1u8r Chain B (length=221) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNELVDTTEMYLRTIYDLEEEGVTPLRARIAERLDQSGPTVSQTVSRMER
DGLLRVAGDRHLELTEKGRALAIAVMRKHRLAERLLVDVIGLPWEEVHAE
ACRWEHVMSEDVERRLVKVLNNPTTSPFGNPIPGLDELGVGLVRLTELPA
GSPVAVVVRQLTEHVQGDIDLITRLKDAGVVPNARVTVETTPGGGVTIVI
PGHENVTLPHEMAHAVKVEKV
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1u8r Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u8r Crystal Structure of an IdeR-DNA Complex Reveals a Conformational Change in Activated IdeR for Base-specific Interactions.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		H79 E83 H98 E172 Q175
Binding residue
(residue number reindexed from 1)		H79 E83 H98 E163 Q166
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008198 ferrous iron binding
GO:0008270 zinc ion binding
GO:0016151 nickel cation binding
GO:0030145 manganese ion binding
GO:0046870 cadmium ion binding
GO:0046914 transition metal ion binding
GO:0046983 protein dimerization activity
GO:0050897 cobalt ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006979 response to oxidative stress
GO:0019540 catechol-containing siderophore biosynthetic process
GO:0045892 negative regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1u8r, PDBe:1u8r, PDBj:1u8r
PDBsum1u8r
PubMed15351642
UniProtP9WMH1|IDER_MYCTU Iron-dependent repressor IdeR (Gene Name=ideR)

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