Structure of PDB 4dn5 Chain B Binding Site BS01

Receptor Information
>4dn5 Chain B (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEEYLVHALQGSVSSGQAHSLTSLAKTWAARGSRSREPSPKTEDNEGVLL
TEKLKPVDYEYREEVHWATHQLRLGRGSFGEVHRMEDKQTGFQCAVKKVR
LEVFRAEELMACAGLTSPRIVPLYGAVREGPWVNIFMELLEGGSLGQLVK
EQGCLPEDRALYYLGQALEGLEYLHSRRILHGDVKADNVLLSSDGSHAAL
CDFGHAVCLQIPGTETHMAPEVVLGRSCDAKVDVWSSCCMMLHMLNGCHP
WTQFFRGPLCLKIASEPPPVREIPPSCAPLTAQAIQEGLRKEPIHRVSAA
ELGGKVNRALQQVGGLKSPWRGEYKEPRHP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4dn5 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dn5 Structure of Nuclear Factor Kappa B-inducing kinase domain reveals a constitutively active conformation
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N520 D534
Binding residue
(residue number reindexed from 1)		N188 D202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D515 K517 N520 D534 T559
Catalytic site (residue number reindexed from 1) D183 K185 N188 D202 T214
Enzyme Commision number 2.7.11.25: mitogen-activated protein kinase kinase kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4dn5, PDBe:4dn5, PDBj:4dn5
PDBsum4dn5
PubMed22718757
UniProtQ99558|M3K14_HUMAN Mitogen-activated protein kinase kinase kinase 14 (Gene Name=MAP3K14)

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