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117E

THE R78K AND D117E ACTIVE SITE VARIANTS OF SACCHAROMYCES CEREVISIAE SOLUBLE INORGANIC PYROPHOSPHATASE: STRUCTURAL STUDIES AND MECHANISTIC IMPLICATIONS

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0004427molecular_functioninorganic diphosphate phosphatase activity
A0005515molecular_functionprotein binding
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0006796biological_processphosphate-containing compound metabolic process
A0016787molecular_functionhydrolase activity
A0046872molecular_functionmetal ion binding
B0000287molecular_functionmagnesium ion binding
B0004427molecular_functioninorganic diphosphate phosphatase activity
B0005515molecular_functionprotein binding
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0006796biological_processphosphate-containing compound metabolic process
B0016787molecular_functionhydrolase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MN A 2001
ChainResidue
AASP115
AGLU117
AASP120
AASP152
AMN2002
APO43002
AHOH4002

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MN A 2002
ChainResidue
AGLU117
AASP120
AMN2001
APO43002
AHOH4003
AHOH4004
AHOH4005

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MN A 2003
ChainResidue
APO43001
AHOH4006
AHOH4008
AHOH4405
AHOH4414

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 2004
ChainResidue
AASP147
AASP152
APO43001
APO43002
AHOH4009
AHOH4010

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MN B 2005
ChainResidue
BASP1115
BGLU1117
BASP1120
BASP1152
BMN2006
BMN2008
BPO43004
BHOH4012

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MN B 2006
ChainResidue
BGLU1117
BASP1120
BMN2005
BPO43004
BHOH4013
BHOH4014
BHOH4015

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN B 2007
ChainResidue
BGLU1058
BGLU1117
BPO43004
BHOH4016
BHOH4017
BHOH4417

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MN B 2008
ChainResidue
BASP1147
BASP1152
BMN2005
BPO43004
BHOH4019
BHOH4020
BHOH4416

site_idAC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE PO4 A 3001
ChainResidue
ALYS56
AARG78
AASP147
ATYR192
ALYS193
AMN2003
AMN2004
APO43002
AHOH4006
AHOH4182
AHOH4414

site_idBC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE PO4 A 3002
ChainResidue
ALYS56
ATYR93
AASP115
AGLU117
AASP120
AASP152
AMN2001
AMN2002
AMN2004
APO43001
AHOH4006
AHOH4010
AHOH4401
AHOH4405

site_idBC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE PO4 B 3004
ChainResidue
BGLU1117
BASP1120
BASP1152
BLYS1154
BMN2005
BMN2006
BMN2007
BMN2008
BHOH4017
BHOH4020
BHOH4056
BHOH4409
BHOH4416
BLYS1056
BTYR1093
BASP1115

site_idMN1
Number of Residues4
Details
ChainResidue
AGLU117
AASP152
AASP115
AASP120

site_idMN2
Number of Residues3
Details
ChainResidue
AGLU117
ATYR93
AASP120

site_idMN4
Number of Residues2
Details
ChainResidue
AASP152
AASP147

site_idMN5
Number of Residues4
Details
ChainResidue
BGLU1117
BASP1152
BASP1115
BASP1120

site_idMN6
Number of Residues3
Details
ChainResidue
BGLU1117
BTYR1093
BASP1120

site_idMN8
Number of Residues2
Details
ChainResidue
BASP1152
BASP1147

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"1322842","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues8
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"18407956","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"15665377","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"17330950","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18407956","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19779198","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues6
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"22106047","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1wgi
ChainResidueDetails
AGLU117

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1wgi
ChainResidueDetails
BGLU1117

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PDB entries from 2025-11-05

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