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Structure paper

TitleCrystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Journal, issue, pagesStructure, Vol. 21, Page 1460-, Year 2013
Publish dateJun 3, 2013 (structure data deposition date)
AuthorsZebisch, M. / Krauss, M. / Schaefer, P. / Lauble, P. / Straeter, N.
External linksStructure / PubMed:23830739
MethodsX-ray diffraction
Resolution1.3 - 2.5 Å
Structure data

PDB-4bqz:
Rat NTPDase2 in complex with Mg GMPPNP
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-4br0:
rat NTPDase2 in complex with Ca AMPNP
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-4br2:
rat NTPDase2 in complex with Ca UMPPNP
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4br4:
Legionella pneumophila NTPDase1 crystal form I, open, apo
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4br5:
Rat NTPDase2 in complex with Zn AMPPNP
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4br7:
Legionella pneumophila NTPDase1 crystal form I, open, AMPNP complex
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4br9:
Legionella pneumophila NTPDase1 crystal form II, closed, apo
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-4bra:
Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPPNP complex
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4brc:
Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPNP complex
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-4brd:
Legionella pneumophila NTPDase1 Q193E crystal form II, closed, Mg AMPPNP complex
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4bre:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with transition state mimic adenosine 5'phosphovanadate
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4brf:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4brg:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG GMPPNP
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4brh:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG AND THIAMINE PHOSPHOVANADATE
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-4bri:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG UMPPNP
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4brk:
Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4brl:
Legionella pneumophila NTPDase1 crystal form III (closed) in complex with transition state mimic guanosine 5'-phosphovanadate
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4brm:
Sulfur SAD phasing of the Legionella pneumophila NTPDase1 - crystal form III (closed) in complex with sulfate
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-4brn:
Legionella pneumophila NTPDase1 crystal form III (closed) in complex with Mg AMP
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-4bro:
Legionella pneumophila NTPDase1 crystal form IV (part-open)
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-4brp:
Legionella pneumophila NTPDase1 crystal form V (part-open)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4brq:
LEGIONELLA PNEUMOPHILA NTPDASE1 CRYSTAL FORM II, CLOSED, IN COMPLEX WITH TWO PHOSPHATES BOUND TO ACTIVE SITE MG AND PRODUCT AMP
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-GNP:
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GppNHp, GMPPNP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-AU1:
5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine

ChemComp-CA:
Unknown entry

ChemComp-UNP:
5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine

ChemComp-CL:
Unknown entry

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-NA:
Unknown entry

ChemComp-50T:
ADENOSINE-5'-PHOSPHOVANADATE

ChemComp-MOO:
MOLYBDATE ION

ChemComp-M27:
bis(mu2-oxo)-octaoxo-dimolybdenum (VI)

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-TMV:
THIAMINE-PHOSPHOVANADATE

ChemComp-DVT:
DECAVANADATE

ChemComp-GMV:
GUANOSINE-5'-PHOSPHOVANADATE

ChemComp-BR:
BROMIDE ION

ChemComp-PO4:
PHOSPHATE ION

Source
  • rattus norvegicus (Norway rat)
  • legionella pneumophila (bacteria)
KeywordsHYDROLASE / APYRASE / ATPASE / ADPASE / CD39 / PURINERGIC SIGNALLING / DOMAIN ROTATION / TRANSITION STATE / NTPDASE

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