Structure of PDB 1tg6 Chain B Binding Site BS01

Receptor Information
>1tg6 Chain B (length=183) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLIPIVVYDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSESNKKPI
HMYINSPGGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLAAGTPG
MRHSLPNSRIMIHQPSGGARGQATDIAIQAEEIMKLKKQLYNIYAKHTKQ
SLQVIESAMERDRYMSPMEAQEFGILDKVLVHP
Ligand information
Ligand IDFME
InChIInChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyPYUSHNKNPOHWEZ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[C@H](NC=O)C(O)=O
CACTVS 3.341CSCC[CH](NC=O)C(O)=O
ACDLabs 10.04O=CNC(C(=O)O)CCSC
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)NC=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)NC=O
FormulaC6 H11 N O3 S
NameN-FORMYLMETHIONINE
ChEMBL
DrugBankDB04464
ZINCZINC000001529464
PDB chain1tg6 Chain D Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tg6 Crystallography and mutagenesis point to an essential role for the N-terminus of human mitochondrial ClpP
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G67 G68 V70 S97 M98 H122 Q123 P124
Binding residue
(residue number reindexed from 1)		G58 G59 V61 S88 M89 H113 Q114 P115
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G68 S97 M98 H122 D171
Catalytic site (residue number reindexed from 1) G59 S88 M89 H113 D162
Enzyme Commision number 3.4.21.92: endopeptidase Clp.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004176 ATP-dependent peptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0008236 serine-type peptidase activity
GO:0042802 identical protein binding
GO:0051117 ATPase binding
Biological Process
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0033619 membrane protein proteolysis
GO:0035694 mitochondrial protein catabolic process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0009368 endopeptidase Clp complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1tg6, PDBe:1tg6, PDBj:1tg6
PDBsum1tg6
PubMed15522782
UniProtQ16740|CLPP_HUMAN ATP-dependent Clp protease proteolytic subunit, mitochondrial (Gene Name=CLPP)

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