1QWO

Crystal structure of a phosphorylated phytase from Aspergillus fumigatus, revealing the structural basis for its heat resilience and catalytic pathway

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Functional Information from GO Data

ChainGOidnamespacecontents
A0005576cellular_componentextracellular region
A0016158molecular_function3-phytase activity
A0003993molecular_functionacid phosphatase activity
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC18BINDING SITE FOR RESIDUE NAG A 502
ChainResidue
AALA78
AASN82
AVAL227
ATHR228
AASP414
AHOH969
AHOH1110
AHOH1158

AC214BINDING SITE FOR RESIDUE NAG A 503
ChainResidue
AASN184
AHIS312
ATHR313
ATHR315
AASN316
ASER317
ATRP439
ANAG504
AHOH791
AHOH975
AHOH1049
AHOH1061
AHOH1080
AHOH1180

AC311BINDING SITE FOR RESIDUE NAG A 504
ChainResidue
ATHR182
APHE183
AASN184
AASN316
ANAG503
AHOH839
AHOH857
AHOH935
AHOH1041
AHOH1088
AHOH1280

AC412BINDING SITE FOR RESIDUE NAG A 505
ChainResidue
ALEU159
AARG168
AASN353
AHIS411
AGLY412
AGLY429
AHOH721
AHOH774
AHOH818
AHOH934
AHOH1047
AHOH1085

AC53BINDING SITE FOR RESIDUE NAG A 506
ChainResidue
AASN207
AARG360
AHOH1228

AC66BINDING SITE FOR RESIDUE NAG A 507
ChainResidue
APRO323
APRO327
ALEU328
AASN329
AHOH1212
AHOH1293

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Functional Information from PDB atom coordinates for the "HETATM" binding sites

site_idNumber of ResiduesDetails
NAG_1qwo_A_5029N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ALEU75NAG: N-ACETYL-D-GLUCOSAMINE
AALA78-ILE79NAG: N-ACETYL-D-GLUCOSAMINE
AASN82NAG: N-ACETYL-D-GLUCOSAMINE
AGLY226-LEU229NAG: N-ACETYL-D-GLUCOSAMINE
AASP233NAG: N-ACETYL-D-GLUCOSAMINE

NAG_1qwo_A_5078N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
APHE134NAG: N-ACETYL-D-GLUCOSAMINE
APRO323-ALA324NAG: N-ACETYL-D-GLUCOSAMINE
APHE326-ALA330NAG: N-ACETYL-D-GLUCOSAMINE

NAG_1qwo_A_5046N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ATHR182-ASN184NAG: N-ACETYL-D-GLUCOSAMINE
AASN316NAG: N-ACETYL-D-GLUCOSAMINE
ATHR318-LEU319NAG: N-ACETYL-D-GLUCOSAMINE

NAG_1qwo_A_50311N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
AASN184NAG: N-ACETYL-D-GLUCOSAMINE
AVAL191NAG: N-ACETYL-D-GLUCOSAMINE
AHIS312-THR318NAG: N-ACETYL-D-GLUCOSAMINE
ATRP439NAG: N-ACETYL-D-GLUCOSAMINE
APHE443NAG: N-ACETYL-D-GLUCOSAMINE

NAG_1qwo_A_5065N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ALEU200NAG: N-ACETYL-D-GLUCOSAMINE
AGLU203-VAL204NAG: N-ACETYL-D-GLUCOSAMINE
AASN207NAG: N-ACETYL-D-GLUCOSAMINE
AARG360NAG: N-ACETYL-D-GLUCOSAMINE

NAG_1qwo_A_5059N-ACETYL-D-GLUCOSAMINE binding site
ChainResidueligand
ALEU349-GLY350NAG: N-ACETYL-D-GLUCOSAMINE
AASN353NAG: N-ACETYL-D-GLUCOSAMINE
AHIS411-GLY412NAG: N-ACETYL-D-GLUCOSAMINE
AGLY429-TRP432NAG: N-ACETYL-D-GLUCOSAMINE

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS0077817Histidine acid phosphatases active site signature. [LIVMF]-x-[LIVMFAG]-{T}-x-[STAGI]-H-D-[STANQ]-{V}-[LIVM]-x(2)-[LIVMFY]
ChainResidueDetails
AMET332-ALA348

PS0061615Histidine acid phosphatases phosphohistidine signature. [LIVM]-x(2)-[LIVMA]-x(2)-[LIVM]-x-R-H-[GN]-x-R-x-[PAS]
ChainResidueDetails
AILE50-PRO64

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11Nucleophile (By similarity).
ChainResidueDetails
ANEP58

SWS_FT_FI21Proton donor (By similarity).
ChainResidueDetails
AASP337

CSA14Annotated By Reference To The Literature 1rpt
ChainResidueDetails
AHIS338
AARG142
AASP339
AARG62

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Catalytic Information from CSA

site_idNumber of ResiduesDetails
CSA14Annotated By Reference To The Literature 1rpt
ChainResidueDetails
AHIS338
AARG142
AASP339
AARG62