Structure of PDB 7pcp Chain A Binding Site BS04

Receptor Information
>7pcp Chain A (length=524) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWELTILHTNDVHSRLEQTSEDSSKCVDASRCMGGVARLFTKVQQIRRAE
PNVLLLDAGDQYQGTIWFTVYKGAEVAHFMNALRYDAMALGNHEFDNGVE
GLIEPLLKEAKFPILSANISASGPLASQISGLYLPYKVLPVGDEVVGIVG
YTSKETPFLSNPGTNLVFEDEITALQPEVDKLKTLNVNKIIALGHSGFEM
DKLIAQKVRGVDVVVGGHSNTFLYTGNPPSKEVPAGKYPFIVTSDDGRKV
PVVQAYAFGKYLGYLKIEFDERGNVISSHGNPILLDSSIPEDPSIKADIN
KWRIKLDDYSTQELGKTIVYLDGSSQSCRFRECNMGNLICDAMINNNLRH
ADEMFWNHVSMCILNGGGIRSPIDERNDGTITWENLAAVLPFGGTFDLVQ
LKGSTLKKAFEHSVHRYGQSTGEFLQVGGIHVVYDLSRKPGDRVVKLDVL
CTSCRVPSYDPLKMDEVYKVILPNFLANGGDGFQMIKDELLRHDSGDQDI
NVVSTYISKMKVIYPAVEGRIKFS
Ligand information
Ligand IDIUR
InChIInChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyKSNXJLQDQOIRIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)I
ACDLabs 10.04
CACTVS 3.341		IC1=CNC(=O)NC1=O
FormulaC4 H3 I N2 O2
Name5-IODOURACIL
ChEMBLCHEMBL1173
DrugBankDB03554
ZINCZINC000001092752
PDB chain7pcp Chain A Residue 605 [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]
PDB7pcp Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Resolution1.377 Å
Binding residue
(original residue number in PDB)		G393 F417 F500
Binding residue
(residue number reindexed from 1)		G368 F392 F475
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.35: thymidylate 5'-phosphatase.
3.1.3.5: 5'-nucleotidase.
3.1.3.89: 5'-deoxynucleotidase.
3.1.3.91: 7-methylguanosine nucleotidase.
3.1.3.99: IMP-specific 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0002953 5'-deoxynucleotidase activity
GO:0005515 protein binding
GO:0008252 nucleotidase activity
GO:0008253 5'-nucleotidase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0050340 thymidylate 5'-phosphatase activity
GO:0050483 IMP 5'-nucleotidase activity
GO:0050484 GMP 5'-nucleotidase activity
GO:0106411 XMP 5'-nucleosidase activity
Biological Process
GO:0006196 AMP catabolic process
GO:0006259 DNA metabolic process
GO:0007159 leukocyte cell-cell adhesion
GO:0009166 nucleotide catabolic process
GO:0033198 response to ATP
GO:0046032 ADP catabolic process
GO:0046034 ATP metabolic process
GO:0046086 adenosine biosynthetic process
GO:0050728 negative regulation of inflammatory response
GO:0055074 calcium ion homeostasis
GO:0140928 inhibition of non-skeletal tissue mineralization
Cellular Component
GO:0005654 nucleoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0070062 extracellular exosome
GO:0098552 side of membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7pcp, PDBe:7pcp, PDBj:7pcp
PDBsum7pcp
PubMed34403084
UniProtP21589|5NTD_HUMAN 5'-nucleotidase (Gene Name=NT5E)

[Back to BioLiP]