Structure of PDB 4irm Chain B Binding Site BS01

Receptor Information
>4irm Chain B (length=256) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVLTTFTVLADMVQNVAGDKLVVESITRIGAEIHGYEPTPSDIVKAQDA
DLILYNGMNLEAWFEQFLGNVKDVPSVVLTEGIEPIPIADKPNPHAWMSP
RNALVYVENIRQAFVELDPDNAKYYNANAAVYSEQLKAIDRQLGADLEQV
PANQRFLVSCEGAFSYLARDYGMEEIYMWPINAEQQVIEEVKTNNVPTIF
CESTVSDKGQKQVAQATGARFGGNLYVDSLSTEEGPVPTFLDLLEYDARV
ITNGLL
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 chain4irm 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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PDB4irm Arginine 116 stabilizes the entrance to the metal ion-binding site of the MntC protein.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		H89 H154 E220 D295
Binding residue
(residue number reindexed from 1)		H35 H95 E161 D228
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0007155 cell adhesion
GO:0030001 metal ion transport

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Molecular Function
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Biological Process
External links
PDB RCSB:4irm, PDBe:4irm, PDBj:4irm
PDBsum4irm
PubMed23519795
UniProtQ79EF9

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