Structure of PDB 4uwq Chain D Binding Site BS02

Receptor Information
>4uwq Chain D (length=545) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSLYDLPPYGDATLLYFSDLHGQAFPHYFMEPPNLIAPKPLMGRPGYLTG
EAILRYYGVERGTPLAYLLSYVDFVELARTFGPIGGMGALTALIRDQKAR
VEAEGGKALVLDGGDTWTNSGLSLLTRGEAVVRWQNLVGVDHMVSHCEWT
LGRERVEELLGLFRGEFLSYNIVDDLFGDPLFPAYRIHRVGPYALAVVGA
SYPYVKVSHPESFTEGLSFALDERRLQEAVDKARAEGANAVVLLSHNGMQ
LDAALAERIRGIDLILSGHTHDLTPRPWRVGKTWIVAGSAAGKALMRVDL
KLWKGGIANLRVRVLPVLAEHLPKAEDVEAFLKAQLAPHQDHLFTPLAVS
ETLLYKRDTLYSTWDQLVGEAVKAIYPEVEVVFSPAVRWGTTILPGQAIT
WDHLYAYTGFTYPELYLFYLRGAQIKAVLEDIASNVFTSDPFYQQGGDVS
RVFGLRYVLDPDAPTGERVREVEVGGRPLDPNRRYLAAAYGGRLQRVGEA
KPGYEPRPIYEVLAEYLRSVGRVRVRPEPNVKVIGRNYRLPEVTG
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 chain4uwq Chain D Residue 581 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4uwq Structural Basis for Specificity and Promiscuity in a Carrier Protein/Enzyme System from the Sulfur Cycle
Resolution3.28 Å
Binding residue
(original residue number in PDB)		D143 H174 H274 H297
Binding residue
(residue number reindexed from 1)		D115 H146 H246 H269
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0009166 nucleotide catabolic process
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4uwq, PDBe:4uwq, PDBj:4uwq
PDBsum4uwq
PubMed26655737
UniProtQ72IT0

[Back to BioLiP]