Structure of PDB 4b56 Chain A Binding Site BS04

Receptor Information
>4b56 Chain A (length=816) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCG
EKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPA
EFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTK
TFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQP
IWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLE
WLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMD
GLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAA
RLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSD
RIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAF
KHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHP
KEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMT
VPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRD
DFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEA
LLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGR
YDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAY
ILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQE
SVSELLRLKTHLPIFS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4b56 Chain A Residue 1007 [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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PDB4b56 Structure of Npp1, an Ectonucleotide Pyrophosphatase/Phosphodiesterase Involved in Tissue Calcification.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		T238 D358 H362 H517
Binding residue
(residue number reindexed from 1)		T151 D271 H275 H430
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:0004528 phosphodiesterase I activity
GO:0004551 dinucleotide phosphatase activity
GO:0005509 calcium ion binding
GO:0008081 phosphoric diester hydrolase activity
GO:0008270 zinc ion binding
GO:0010945 coenzyme A diphosphatase activity
GO:0016462 pyrophosphatase activity
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0016791 phosphatase activity
GO:0036219 GTP diphosphatase activity
GO:0036221 UTP diphosphatase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity
GO:0047693 ATP diphosphatase activity
GO:0106177 cyclic-GMP-AMP hydrolase activity
Biological Process
GO:0000902 cell morphogenesis
GO:0001503 ossification
GO:0001570 vasculogenesis
GO:0001649 osteoblast differentiation
GO:0001822 kidney development
GO:0001922 B-1 B cell homeostasis
GO:0001958 endochondral ossification
GO:0002009 morphogenesis of an epithelium
GO:0002021 response to dietary excess
GO:0002269 leukocyte activation involved in inflammatory response
GO:0002317 plasma cell differentiation
GO:0002437 inflammatory response to antigenic stimulus
GO:0006096 glycolytic process
GO:0006631 fatty acid metabolic process
GO:0007005 mitochondrion organization
GO:0007224 smoothened signaling pathway
GO:0007507 heart development
GO:0007605 sensory perception of sound
GO:0007628 adult walking behavior
GO:0008283 cell population proliferation
GO:0008340 determination of adult lifespan
GO:0008344 adult locomotory behavior
GO:0008543 fibroblast growth factor receptor signaling pathway
GO:0009611 response to wounding
GO:0010467 gene expression
GO:0010960 magnesium ion homeostasis
GO:0014004 microglia differentiation
GO:0015938 coenzyme A catabolic process
GO:0016055 Wnt signaling pathway
GO:0016192 vesicle-mediated transport
GO:0019634 organic phosphonate metabolic process
GO:0019725 cellular homeostasis
GO:0021510 spinal cord development
GO:0022010 central nervous system myelination
GO:0030217 T cell differentiation
GO:0030225 macrophage differentiation
GO:0030279 negative regulation of ossification
GO:0030282 bone mineralization
GO:0030316 osteoclast differentiation
GO:0030502 negative regulation of bone mineralization
GO:0030505 inorganic diphosphate transport
GO:0031103 axon regeneration
GO:0031214 biomineral tissue development
GO:0032026 response to magnesium ion
GO:0032868 response to insulin
GO:0034505 tooth mineralization
GO:0034516 response to vitamin B6
GO:0035128 post-embryonic forelimb morphogenesis
GO:0035264 multicellular organism growth
GO:0035630 bone mineralization involved in bone maturation
GO:0035904 aorta development
GO:0036076 ligamentous ossification
GO:0036119 response to platelet-derived growth factor
GO:0038065 collagen-activated signaling pathway
GO:0042445 hormone metabolic process
GO:0042474 middle ear morphogenesis
GO:0042476 odontogenesis
GO:0042593 glucose homeostasis
GO:0042789 mRNA transcription by RNA polymerase II
GO:0042832 defense response to protozoan
GO:0043588 skin development
GO:0045444 fat cell differentiation
GO:0045453 bone resorption
GO:0045599 negative regulation of fat cell differentiation
GO:0046034 ATP metabolic process
GO:0046323 D-glucose import
GO:0046716 muscle cell cellular homeostasis
GO:0046849 bone remodeling
GO:0050951 sensory perception of temperature stimulus
GO:0050954 sensory perception of mechanical stimulus
GO:0051216 cartilage development
GO:0051402 neuron apoptotic process
GO:0051649 establishment of localization in cell
GO:0055062 phosphate ion homeostasis
GO:0055074 calcium ion homeostasis
GO:0060291 long-term synaptic potentiation
GO:0060346 bone trabecula formation
GO:0060348 bone development
GO:0060350 endochondral bone morphogenesis
GO:0060612 adipose tissue development
GO:0060613 fat pad development
GO:0060840 artery development
GO:0061975 articular cartilage development
GO:0070212 protein poly-ADP-ribosylation
GO:0070254 mucus secretion
GO:0070640 vitamin D3 metabolic process
GO:0071344 diphosphate metabolic process
GO:0071529 cementum mineralization
GO:0097241 hematopoietic stem cell migration to bone marrow
GO:0097252 oligodendrocyte apoptotic process
GO:0098868 bone growth
GO:0140459 response to Gram-positive bacterium
GO:0140928 inhibition of non-skeletal tissue mineralization
GO:1902742 apoptotic process involved in development
GO:1904124 microglial cell migration
GO:1904383 response to sodium phosphate
GO:1904384 cellular response to sodium phosphate
GO:1904738 vascular associated smooth muscle cell migration
GO:1990787 negative regulation of hh target transcription factor activity
GO:1990874 vascular associated smooth muscle cell proliferation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0016323 basolateral plasma membrane

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:4b56, PDBe:4b56, PDBj:4b56
PDBsum4b56
PubMed23041369
UniProtP06802|ENPP1_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Gene Name=Enpp1)

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