Structure of PDB 6qva Chain A Binding Site BS02
Receptor Information
>6qva Chain A (length=310) Species:
194439
(Chlorobaculum tepidum TLS) [
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RLQLDAHASIHENVRRLLQFTTSIMEANEEGIRKDIDSEFLHDFRVAIRR
SRSILRLLNGVFDPEKTAWMLAGLRELGKRTNDLRDSDVYLLRREEYTSL
LPPSLRPALDPFFSDLEADKRLHHRQFCRYLTGREYSGFMTSLKEFIAEG
ELPDPETAPLAAEPTGDVAAKTIRKALKKVLVHGRRTGSETSDAELHELR
IDCKKLRYLLEFFASLFPPKATAQVLRQMKTLQDNLGTFVDLTVQMEFLQ
SRLETIPADRGGISEAAAIGGLLTTLYRKREKVREHFHEIFSGFDSNETG
ELFDELLTGL
Ligand information
Ligand ID
3PO
InChI
InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKey
UNXRWKVEANCORM-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0
OP(=O)(O)OP(=O)(O)OP(=O)(O)O
ACDLabs 10.04
O=P(OP(=O)(O)OP(=O)(O)O)(O)O
Formula
H5 O10 P3
Name
TRIPHOSPHATE
ChEMBL
CHEMBL1230191
DrugBank
DB03896
ZINC
ZINC000006827739
PDB chain
6qva Chain A Residue 606 [
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Receptor-Ligand Complex Structure
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PDB
6qva
Molecular characterization of CHAD domains as inorganic polyphosphate-binding modules.
Resolution
2.05 Å
Binding residue
(original residue number in PDB)
K386 H394
Binding residue
(residue number reindexed from 1)
K175 H183
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6qva
,
PDBe:6qva
,
PDBj:6qva
PDBsum
6qva
PubMed
31133615
UniProt
Q8KE09
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