Structure of PDB 3tuz Chain D Binding Site BS01

Receptor Information
>3tuz Chain D (length=343) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRC
VNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVF
GNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVA
IARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHE
MDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIP
EDYQERLQAEPFTDCVPMLRLEFTGQSVDAPLLSETARRFNVNNNIISAQ
MDYAGGVKFGIMLTEMHGTQQDTQAAIAWLQEHHVKVEVLGYV
Ligand information
Ligand IDMSE
InChIInChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyRJFAYQIBOAGBLC-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CC[Se]C
CACTVS 3.341C[Se]CC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0C[Se]CC[C@@H](C(=O)O)N
CACTVS 3.341C[Se]CC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[Se]CCC(C(=O)O)N
FormulaC5 H11 N O2 Se
NameSELENOMETHIONINE
ChEMBLCHEMBL113178
DrugBankDB11142
ZINC
PDB chain3tuz Chain D Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tuz Inward facing conformations of the MetNI methionine ABC transporter: Implications for the mechanism of transinhibition.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		F273 V278 A280 L282 L283 Q300 M301
Binding residue
(residue number reindexed from 1)		F273 V278 A280 L282 L283 Q300 M301
Annotation score2
Enzymatic activity
Enzyme Commision number 7.4.2.11: ABC-type methionine transporter.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015191 L-methionine transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0033232 ABC-type D-methionine transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
Biological Process
GO:0006865 amino acid transport
GO:0048473 D-methionine transmembrane transport
GO:1902475 L-alpha-amino acid transmembrane transport
GO:1903692 methionine import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0009276 Gram-negative-bacterium-type cell wall
GO:0016020 membrane
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
GO:1990197 methionine-importing ABC transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3tuz, PDBe:3tuz, PDBj:3tuz
PDBsum3tuz
PubMed22095702
UniProtP30750|METN_ECOLI Methionine import ATP-binding protein MetN (Gene Name=metN)

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