Structure of PDB 6cyl Chain A Binding Site BS01

Receptor Information
>6cyl Chain A (length=196) Species: 431241 (Trichoderma reesei QM6a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFSLPALPYAYDALEPSISAQIMELHHSKHHQTYVTNLNNALKTYSTALA
ANDVPSQIALQAAIKFNGGQHINHSLFWENLCPASSPDADPASAPELTAE
IAKTWGSLDKFKEAMGKALLGIQGSGWGWLVKEGSGLRIVTTKDGDPVVG
GEVPVFGIDMWEHAYYLQYLNGKAAYVDNIWKVINWKTAEQRFKGD
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 chain6cyl 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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PDB6cyl Crystal Structure of Mn Superoxide Dismutase double mutant (G74Q+Q149G) from Trichoderma reesei
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H30 H78 D163 H167
Binding residue
(residue number reindexed from 1)		H26 H74 D159 H163
Annotation score1
Enzymatic activity
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0005739 mitochondrion

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Cellular Component
External links
PDB RCSB:6cyl, PDBe:6cyl, PDBj:6cyl
PDBsum6cyl
PubMed
UniProtG0RQS7

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