Structure of PDB 7r4j Chain A Binding Site BS01

Receptor Information
>7r4j Chain A (length=340) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGFRPSRVVVVAKTTRYEFEQQRYRYLLALKGSSYSGLLERHHIHTKNVE
HIIDSLRNEGIEVRLVKRREYDEETVRWADAVIAAGGDGTMLLAASKVLD
RLKPVIGVNTDPERSEGHLCLPVRYTHSFPEALQKFYRGEFRWLWRQRIR
LYLEGTGINPVPVDLHEASGPQLLPVRALNEVFIGESLSSRASYYEISVD
DGPWEKQKSSGLNLCTGTGSKAWSFNINRVATQAVEDVLNIAKRSLPLNR
ELVEKVTNEYNESLLYSPEEPKILFSIREPIAVFSSSRQRCFSSKVCVRS
RCWDACMVVDGGTSFEFNDGAIASMMINKEDELRTVLLEQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7r4j Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r4j Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		E123 D127
Binding residue
(residue number reindexed from 1)		E50 D54
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.23: NAD(+) kinase.
Gene Ontology
Molecular Function
GO:0003951 NAD+ kinase activity
Biological Process
GO:0006741 NADP biosynthetic process
GO:0019674 NAD metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7r4j, PDBe:7r4j, PDBj:7r4j
PDBsum7r4j
PubMed35868311
UniProtQ4G0N4|NAKD2_HUMAN NAD kinase 2, mitochondrial (Gene Name=NADK2)

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