Structure of PDB 7kl0 Chain B Binding Site BS03

Receptor Information
>7kl0 Chain B (length=268) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRFTEEYQLFEELGKGAFSVVRRCVKVLAGQEYAAKIINTKKLSARDHQK
LEREARICRLLKHPNIVRLHDSISEEGHHYLIFDLVTGGELFEDIVAREY
YSEADASHCIQQILEAVLHCHQMGVVHRNLKPENLLLASKLKGAAVKLAD
FGLAIEVEGEQQAWFGFAGTPGYLSPEVLRKDPYGKPVDLWACGVILYIL
LVGYPPFWDEDQHRLYKQIKAGAYDFPSPEWDTVTPEAKDLINKMLTINP
SKRITAAEALKHPWISHR
Ligand information
Ligand IDUZD
InChIInChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
InChIKeyXPIVOYOQXKNYHA-YHQUGGNUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
CACTVS 3.385CCCCCCCNC(=O)OC[CH]1O[CH](OC)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
OpenEye OEToolkits 2.0.7CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)O
FormulaC15 H29 N O7
Namemethyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
ChEMBL
DrugBank
ZINC
PDB chain7kl0 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kl0 CaMKII binds both substrates and activators at the active site.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A40 K42 F89 D90 L91 V92 D156
Binding residue
(residue number reindexed from 1)		A34 K36 F83 D84 L85 V86 D150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N135 K137 N140 D156 T176
Catalytic site (residue number reindexed from 1) N129 K131 N134 D150 T170
Enzyme Commision number 2.7.11.17: calcium/calmodulin-dependent protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7kl0, PDBe:7kl0, PDBj:7kl0
PDBsum7kl0
PubMed35830796
UniProtQ9UQM7|KCC2A_HUMAN Calcium/calmodulin-dependent protein kinase type II subunit alpha (Gene Name=CAMK2A)

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