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NTPDase1 in complex with Heptamolybdate

X-ray diffraction
2.5Å resolution
PDB entry 3zx0 coloured by chain, front view.
PDB entry 3zx0 coloured by chain, side view.
PDB entry 3zx0 coloured by chain, top view.
Source organism: Rattus norvegicus
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Ectonucleoside triphosphate diphosphohydrolase 1
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Multimeric state: homo dimer
Accessible surface area: 33122.14 Å2
Buried surface area: 3338.46 Å2
Dissociation area: 664.26 Å2
Dissociation energy (ΔGdiss): -5.25 kcal/mol
Dissociation entropy (TΔSdiss): 13.63 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-161321
Homo dimeric assembly 1 of PDB entry 3zx0 coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 3zx0 coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 3zx0 coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 48%
No. subunits : 2
Symmetry : C2
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3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with none of the predictions of PISA & EPPIC
Assembly 2
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Assembly Name: Ectonucleoside triphosphate diphosphohydrolase 1
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Multimeric state: homo dimer
Accessible surface area: 32881.5 Å2
Buried surface area: 4650.24 Å2
Dissociation area: 987.23 Å2
Dissociation energy (ΔGdiss): 8.62 kcal/mol
Dissociation entropy (TΔSdiss): 14.18 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-161321
Homo dimeric assembly 2 of PDB entry 3zx0 coloured by chemically distinct molecules, front view.
Homo dimeric assembly 2 of PDB entry 3zx0 coloured by chemically distinct molecules, side view.
Homo dimeric assembly 2 of PDB entry 3zx0 coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 48%
No. subunits : 2
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with none of the predictions of PISA & EPPIC

Macromolecules

Ectonucleoside triphosphate diphosphohydrolase 1
Chains: A, B, C, D
Length: 452 amino acids
Theoretical weight: 50.59 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P97687 (Residues: 38-189, 207-477; Coverage: 83%)
Gene names: Cd39, Entpd1
Pfam: GDA1/CD39 (nucleoside phosphatase) family
InterPro: Nucleoside phosphatase GDA1/CD39
CATH:
Ectonucleoside triphosphate diphosphohydrolase 1 in PDB entry 3zx0, assembly 1, front view.
Ectonucleoside triphosphate diphosphohydrolase 1 in PDB entry 3zx0, assembly 1, side view.
Ectonucleoside triphosphate diphosphohydrolase 1 in PDB entry 3zx0, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P97687  
145250100150200250300350400450
 
200400
UniProt
P97687
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Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
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Sequence conservation
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