Structure of PDB 5jj2 Chain A Binding Site BS01

Receptor Information
>5jj2 Chain A (length=211) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKKKRKDYQPNYFLSIPITNKEIIKGIKILQNAIIQQDERLAKAMVSDGS
FHITLLVMQLLNEDEVNIGIDALLELKPFIEELLQGKHLTLPFQGIGTFG
NQVGFVKLAEGDHVNSLLEIAETANRTFQEKGILVGESRSFKPHLTFMKL
SKSPWLRKNGVKKIDPDLYEKFISHRFGEEILYRIDLCSMLKKKQSNGYY
HCESSIVIGEK
Ligand information
Ligand IDMLI
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(=O)[O-]
FormulaC3 H2 O4
NameMALONATE ION
ChEMBL
DrugBankDB02201
ZINC
PDB chain5jj2 Chain A Residue 301 [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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PDB5jj2 Malonate in the nucleotide-binding site traps human AKAP18 gamma / delta in a novel conformational state.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		T129 H219 T221
Binding residue
(residue number reindexed from 1)		T54 H144 T146
Annotation score3
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5jj2, PDBe:5jj2, PDBj:5jj2
PDBsum5jj2
PubMed27487922
UniProtQ9P0M2|AKA7G_HUMAN A-kinase anchor protein 7 isoform gamma (Gene Name=AKAP7)

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