Structure of PDB 6iii Chain A Binding Site BS01

Receptor Information
>6iii Chain A (length=460) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSFITRWRDELPATYTTLSPTPLNNARLIWHNAELANTLGIPSSLFKAG
VWGGETLLPGMSPLAQVYSGHQFGVWAGQLGDGRGILLGEQRLADGTTMD
WHLKGAGLTPYSRMGDGRAVLRSTIRESLASEAMHYLGIPTTRALSIVTS
DSPVYRETVEPGAMLMRVAPSHLRFGHFEHFYYRREPEKVRQLADFAIRH
YWSHLADDEDKYRLWFTDVVARTASLIAQWQTVGFAHGVMNTDNMSLLGL
TLDYGPFGFLDDYEPGFICNHSDHQGRYSFDNQPAVALWNLQRLAQTLSP
FVAVDALNEALDSYQQVLLTHYGQRMRQKLGFMTEQKEDNALLNELFSLM
ARERSDYTRTFRMLSLTEQHSAADEFIDRAAFDDWFARYRGRLQQDEVSD
SERQQLMQSVNPALVLRNWLAQRAIEAAEKGDMTELHRLHEALRNPFSDR
DDDYVSRPPD
Ligand information
Ligand ID2PN
InChIInChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
InChIKeyGNGSOPFGGKKDQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)NP(=O)(O)O
FormulaH5 N O6 P2
NameIMIDODIPHOSPHORIC ACID
ChEMBLCHEMBL265450
DrugBank
ZINCZINC000263621374
PDB chain6iii Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6iii Crystal structure of an uncharacterized protein
Resolution2.113 Å
Binding residue
(original residue number in PDB)		R87 K107 R170 R177 D256
Binding residue
(residue number reindexed from 1)		R84 K104 R167 R174 D253
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.108: protein adenylyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0070733 AMPylase activity
Biological Process
GO:0018117 protein adenylylation

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Molecular Function
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Biological Process
External links
PDB RCSB:6iii, PDBe:6iii, PDBj:6iii
PDBsum6iii
PubMed
UniProtP77649|SELO_ECOLI Protein adenylyltransferase SelO (Gene Name=selO)

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