Structure of PDB 6wfj Chain AcA Binding Site BS02

Receptor Information
>6wfj Chain AcA (length=817) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKSCKGRCFERTFGNCRCDAACVELGNCCLDYQETCIEPEHIWTCNKFRC
GEKRLTRSLCACSDDCKDKGDCCINYSSVCQGEKSWVEEPCESINEPQCP
AGFETPPTLLFSLDGFRAEYLHTWGGLLPVISKLKKCGTYTKNMRPVYPT
KTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPEWYKGE
PIWVTAKYQGLKSGTFFWPGSDVEINGIFPDIYKMYNGSVPFEERILAVL
QWLQLPKDERPHFYTLYLEEPDSSGHSYGPVSSEVIKALQRVDGMVGMLM
DGLKELNLHRCLNLILISDHGMEQGSCKKYIYLNKYLGDVKNIKVIYGPA
ARLRPSDVPDKYYSFNYEGIARNLSCREPNQHFKPYLKHFLPKRLHFAKS
DRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNVFSNMQALFVGYGPG
FKHGIEADTFENIEVYNLMCDLLNLTPAPNNGTHGSLNHLLKNPVYTPKH
PKEVHPLVQCPFTRNPRDNLGCSCNPSILPIEDFQTQFNLTVAEEKIIKH
ETLPYGRPRVLQKENTICLLSQHQFMSGYSQDILMPLWTSYTVDRNDSFS
TEDFSNCLYQDFRIPLSPVHKCSFYKNNTKVSYGFLSPPQLNKNSSGIYS
EALLTTNIVPMYQSFQVIWRYFHDTLLRKYAEERNGVNVVSGPVFDFDYD
GRCDSLENLRQKRRVIRNQEILIPTHFFIVLTSCKDTSQTPLHCENLDTL
AFILPHRTDNSESCVHGKHDSSWVEELLMLHRARITDVEHITGLSFYQQR
KEPVSDILKLKTHLPTF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6wfj Chain AcA Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6wfj Crystal structures of human ENPP1 in apo and bound forms.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D218 T256 D423 H424
Binding residue
(residue number reindexed from 1)		D114 T152 D319 H320
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.1: phosphodiesterase I.
3.6.1.9: nucleotide diphosphatase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004115 3',5'-cyclic-AMP phosphodiesterase activity
GO:0004527 exonuclease activity
GO:0004528 phosphodiesterase I activity
GO:0004551 dinucleotide phosphatase activity
GO:0005044 scavenger receptor activity
GO:0005158 insulin receptor binding
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0016791 phosphatase activity
GO:0030247 polysaccharide binding
GO:0036219 GTP diphosphatase activity
GO:0036221 UTP diphosphatase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
GO:0047693 ATP diphosphatase activity
GO:0050656 3'-phosphoadenosine 5'-phosphosulfate binding
GO:0106177 cyclic-GMP-AMP hydrolase activity
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006796 phosphate-containing compound metabolic process
GO:0006955 immune response
GO:0009143 nucleoside triphosphate catabolic process
GO:0010467 gene expression
GO:0016192 vesicle-mediated transport
GO:0030282 bone mineralization
GO:0030308 negative regulation of cell growth
GO:0030318 melanocyte differentiation
GO:0030500 regulation of bone mineralization
GO:0030502 negative regulation of bone mineralization
GO:0030505 inorganic diphosphate transport
GO:0030643 intracellular phosphate ion homeostasis
GO:0030730 sequestering of triglyceride
GO:0031214 biomineral tissue development
GO:0031953 negative regulation of protein autophosphorylation
GO:0032869 cellular response to insulin stimulus
GO:0033198 response to ATP
GO:0045599 negative regulation of fat cell differentiation
GO:0045719 negative regulation of glycogen biosynthetic process
GO:0046034 ATP metabolic process
GO:0046325 negative regulation of D-glucose import
GO:0046627 negative regulation of insulin receptor signaling pathway
GO:0050427 3'-phosphoadenosine 5'-phosphosulfate metabolic process
GO:0055062 phosphate ion homeostasis
GO:0090304 nucleic acid metabolic process
GO:1990787 negative regulation of hh target transcription factor activity
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005765 lysosomal membrane
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0016323 basolateral plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wfj, PDBe:6wfj, PDBj:6wfj
PDBsum6wfj
PubMed32876064
UniProtP22413|ENPP1_HUMAN Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=ENPP1)

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