Structure of PDB 5jj2 Chain A Binding Site BS02

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 303 [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)		V121 S122 S125 K224 Y275
Binding residue
(residue number reindexed from 1)		V46 S47 S50 K149 Y200
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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