Structure of PDB 7mxb Chain A Binding Site BS01

Receptor Information
>7mxb Chain A (length=672) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRRQSRPVADGMVELPFITPKPEDELLIDPEKKRKPGVAAPQLVAGDIVA
EQYEVLGVIAHGGMGWIYLANDRNVSGRIVVLKGMMAQSSVQDQGTAEAE
REFLADITHPGIVKAYNFIDDPRVPGGFIVMEYVNGPSLKDRCKAQPDGV
LRVDLAIGYILELLPAMDYLHQRGVVYNDLKPENVIATEDQVKLIDLGAV
TGIGAFGYIYGTKGFQAPEVATHGPSISSDIFTIGRTLAALTMPLPVEDG
VLAPGIPSPKNSPLLRRHLSFYRLLQRATADDPQHRFRNVSELRTQLYGV
LREILAVRDGKQYPPQHSLFSPQRSTFGTKHLVFRTDRIRQARITAPEIV
SALPVPLIDRTDPGARMLSGSSYAEPSETLETLRNSMEDEQYRQSIEIPL
GVVRALLDLGFTTEARQWLETLEGRIGDDWRHKWFSGITYLLLDDYATAQ
VFFNHVLTILPGEAAPKLALAAVDELILQQIGAESTAYLTPDIVSATATL
SKDFEDLDASAFESLSDTWSHISSDPHVVRFHSLRLYALVWATNPTTVSS
AFGLARQLMAENQIELAVQALDKLPQSSTHYRMATLTTILLLVSSNLSES
RIRRAARRLTEIPTNEPRFNQIKIAIMSAGLSWLRERKLKASASANPLFE
YPFSQKGLRTGISEALRIQARS
Ligand information
Ligand IDMAP
InChIInChI=1S/C10H17N6O12P3.Mg.H/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;/q;+1;/p-1/t4-,6-,7-,10-;;/m1../s1
InChIKeyQTQJEIANUKJRTB-IDIVVRGQSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O[Mg])OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 Mg N6 O12 P3
NameMAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain7mxb Chain A Residue 901 [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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PDB7mxb A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G184 G185 M186 I189 V203 K205 M253 Y255 V256 K303 E305 I317
Binding residue
(residue number reindexed from 1)		G62 G63 M64 I67 V81 K83 M131 Y133 V134 K181 E183 I195
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7mxb, PDBe:7mxb, PDBj:7mxb
PDBsum7mxb
PubMed34607462
UniProtQ8NM29

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