Structure of PDB 3mr1 Chain B Binding Site BS02

Receptor Information
>3mr1 Chain B (length=248) Species: 782 (Rickettsia prowazekii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKIHTEKDFIKMRAAGKLAAETLDFITDHVKPNVTTNSLNDLCHNFITS
HNAIPAPLNYKGFPKSICTSINHVVCHGIPNDKPLKNGDIVNIDVTVILD
GWYGDTSRMYYVGDVAIKPKRLIQVTYDAMMKGIEVVRPGAKLGDIGYAI
QSYAEKHNYSVVRDYTGHGIGRVFHDKPSILNYGRNGTGLTLKEGMFFTV
EPMINAGNYDTILSKLDGWTVTTRDKSLSAQFEHTIGVTKDGFEIFTL
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 chain3mr1 Chain B Residue 250 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mr1 Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D94 D105 E233
Binding residue
(residue number reindexed from 1)		D94 D105 E233
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H77 D94 D105 S107 H168 H175 E201 E233
Catalytic site (residue number reindexed from 1) H77 D94 D105 S107 H168 H175 E201 E233
Enzyme Commision number 3.4.11.18: methionyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0004239 initiator methionyl aminopeptidase activity
GO:0008235 metalloexopeptidase activity
GO:0046872 metal ion binding
GO:0046914 transition metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3mr1, PDBe:3mr1, PDBj:3mr1
PDBsum3mr1
PubMed28089350
UniProtQ9ZCD3|MAP1_RICPR Methionine aminopeptidase (Gene Name=map)

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