Structure of PDB 3mx6 Chain A Binding Site BS01

Receptor Information
>3mx6 Chain A (length=257) Species: 782 (Rickettsia prowazekii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKIHTEKDFIKMRAAGKLAAETLDFITDHVKPNVTTNSLNDLCHNFITSH
NAIPAPLNYKGFPKSICTSINHVVCHGIPNDKPLKNGDIVNIDVTVILDG
WYGDTSRMYYVGDVAIKPKRLIQVTYDAMMKGIEVVRPGAKLGDIGYAIQ
SYAEKHNYSVVRDYTGHGIGRVFHDKPSILNYGRNGTGLTLKEGMFFTVE
PMINAGNYDTILSKLDGWTVTTRDKSLSAQFEHTIGVTKDGFEIFTLSPK
KLDYPPY
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain3mx6 Chain A Residue 262 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3mx6 Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F63 H77 D94 D105 H168 H175 W219 E233
Binding residue
(residue number reindexed from 1)		F62 H76 D93 D104 H167 H174 W218 E232
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D94 D105 H168 H175 E201 E233
Catalytic site (residue number reindexed from 1) D93 D104 H167 H174 E200 E232
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3mx6, PDBe:3mx6, PDBj:3mx6
PDBsum3mx6
PubMed28089350
UniProtQ9ZCD3|MAP1_RICPR Methionine aminopeptidase (Gene Name=map)

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