Structure of PDB 4m58 Chain A Binding Site BS01

Receptor Information
>4m58 Chain A (length=227) Species: 273068 (Caldanaerobacter subterraneus subsp. tengcongensis MB4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHIPEGYLSPQTCAVMGAAMVPVLTVAAKKVNKSFDKKDVPAMAIGSAFA
FTIMMFNVPIPGGTTAHAIGATLLATTLGPWAASISLTLALFIQALLFGD
GGILALGANSFNMAFIAPFVGYGIYRLMLSLKLNKVLSSAIGGYVGINAA
ALATAIELGLQPLLFHTANGTPLYFPYGLNVAIPAMMFAHLTVAGIVEAV
ITGLVVYYLQKVDEENILHKFSYRLRG
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain4m58 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m58 Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Resolution3.21 Å
Binding residue
(original residue number in PDB)		M1 H2 H67
Binding residue
(residue number reindexed from 1)		M1 H2 H67
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000041 transition metal ion transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:4m58, PDBe:4m58, PDBj:4m58
PDBsum4m58
PubMed24366337
UniProtQ8R9C0

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