Structure of PDB 2v7o Chain A Binding Site BS01

Receptor Information
>2v7o Chain A (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TENLYFQSMATCTRFTDDYQLFEELGKGFSVVRRCVKKTPTQEYAAKIIN
TKKLSARDHQKLEREARICRLLKHPNIVRLHDSISEEGFHYLVFDLVTGG
ELFEDIVAREYYSEADASHCIHQILESVNHIHQHDIVHRDLKPENLLLAS
KCKGAAVKLADFGLAIEVQGEQQAWFGFAGTPGYLSPEVLRKDPYGKPVD
IWACGVILYILLVGYPPFWDEDQHKLYQQIKAGAYDFPSPEWDTVTPEAK
NLINQMLTINPAKRITADQALKHPWVCQRSTVASMMHRQETVECLRKFNA
RRKLKG
Ligand information
Ligand IDDRN
InChIInChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
InChIKeyDSXXEELGXBCYNQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45
OpenEye OEToolkits 1.5.0[H]N=C(N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
ACDLabs 10.04O=C5C(c2c1ccccc1n(c2)C)=C(c4c3ccccc3n(c4)CCCSC(=[N@H])N)C(=O)N5
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
FormulaC25 H23 N5 O2 S
NameBISINDOLYLMALEIMIDE IX
ChEMBLCHEMBL6291
DrugBank
ZINCZINC000003797930
PDB chain2v7o Chain A Residue 1303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2v7o Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		L20 G21 V28 A41 F90 D91 L92 V93 D157
Binding residue
(residue number reindexed from 1)		L25 G26 V32 A45 F94 D95 L96 V97 D161
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D136 K138 N141 D157 T177
Catalytic site (residue number reindexed from 1) D140 K142 N145 D161 T181
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:2v7o, PDBe:2v7o, PDBj:2v7o
PDBsum2v7o
PubMed20668654
UniProtQ13555|KCC2G_HUMAN Calcium/calmodulin-dependent protein kinase type II subunit gamma (Gene Name=CAMK2G)

[Back to BioLiP]