1G6K

Crystal structure of glucose dehydrogenase mutant E96A complexed with NAD+

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Functional Information from GO Data

ChainGOidnamespacecontents
A0047936molecular_functionglucose 1-dehydrogenase [NAD(P)] activity
A0030435biological_processsporulation resulting in formation of a cellular spore
B0047936molecular_functionglucose 1-dehydrogenase [NAD(P)] activity
B0030435biological_processsporulation resulting in formation of a cellular spore
E0047936molecular_functionglucose 1-dehydrogenase [NAD(P)] activity
E0030435biological_processsporulation resulting in formation of a cellular spore
F0047936molecular_functionglucose 1-dehydrogenase [NAD(P)] activity
F0030435biological_processsporulation resulting in formation of a cellular spore
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Functional Information from PDB Data

site_idNumber of ResiduesDetails
AC127BINDING SITE FOR RESIDUE NAD A 1262
ChainResidue
AGLY14
ATHR17
AGLY18
ALEU19
AARG39
AGLY64
AASP65
AVAL66
AASN92
AALA93
AGLY94
ATHR115
AMET143
ASER144
ASER145
ATYR158
ALYS162
APRO188
AGLY189
AILE191
ATHR193
AILE195
AASN196
AHOH1273
AHOH1291
AHOH1299
AHOH1300

AC225BINDING SITE FOR RESIDUE NAD B 2262
ChainResidue
BGLY14
BTHR17
BGLY18
BLEU19
BGLY64
BASP65
BVAL66
BASN92
BALA93
BGLY94
BTHR115
BMET143
BSER144
BSER145
BTYR158
BLYS162
BPRO188
BGLY189
BILE191
BTHR193
BILE195
BASN196
BHOH2265
BHOH2293
BHOH2331

AC325BINDING SITE FOR RESIDUE NAD E 3262
ChainResidue
EGLY14
ETHR17
EGLY18
ELEU19
EARG39
EGLY64
EASP65
EVAL66
EASN92
EALA93
EGLY94
ETHR115
EMET143
ESER144
ESER145
ETYR158
ELYS162
EPRO188
EGLY189
EILE191
ETHR193
EILE195
EASN196
EHOH3279
EHOH3284

AC424BINDING SITE FOR RESIDUE NAD F 4262
ChainResidue
FGLY14
FTHR17
FGLY18
FLEU19
FGLY64
FASP65
FVAL66
FASN92
FALA93
FGLY94
FTHR115
FMET143
FSER144
FSER145
FTYR158
FLYS162
FPRO188
FGLY189
FILE191
FTHR193
FILE195
FASN196
FHOH4272
FHOH4304

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

site_idNumber of ResiduesDetails
NAD_1g6k_A_126231NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
ChainResidueligand
AGLY14NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ASER16-GLY20NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
AASN37NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
AARG39NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
AGLY64-THR67NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
AASN92-LEU95NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ATHR115NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
AMET143-VAL146NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ATYR158NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ALYS162NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
APRO188-ILE191NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ATHR193-ASN196NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE

NAD_1g6k_B_226231NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
ChainResidueligand
BGLY14NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BSER16-GLY20NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BASN37NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BARG39NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BGLY64-THR67NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BASN92-LEU95NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BTHR115NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BMET143-VAL146NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BTYR158NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BLYS162NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BPRO188-ILE191NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
BTHR193-ASN196NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE

NAD_1g6k_E_326230NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
ChainResidueligand
EGLY14NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ESER16-GLY20NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
EASN37NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
EARG39NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
EGLY64-THR67NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
EASN92-LEU95NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ETHR115NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
EMET143-SER145NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ETYR158NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ELYS162NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
EPRO188-ILE191NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
ETHR193-ASN196NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE

NAD_1g6k_F_426232NICOTINAMIDE-ADENINE-DINUCLEOTIDE binding site
ChainResidueligand
FGLY14NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FSER16-GLY20NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FASN37NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FARG39NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FGLU44NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FGLY64-THR67NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FASN92-LEU95NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FTHR115NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FMET143-VAL146NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FTYR158NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FLYS162NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FPRO188-ILE191NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FTHR193-ASN196NAD: NICOTINAMIDE-ADENINE-DINUCLEOTIDE

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Functional Information from PROSITE/UniProt

site_idNumber of ResiduesDetails
PS00061116Short-chain dehydrogenases/reductases family signature. [LIVSPADNK]-x(9)-{P}-x(2)-Y-[PSTAGNCV]-[STAGNQCIVM]-[STAGC]-K-{PC}
ChainResidueDetails
ASER145-ALA173
BSER145-ALA173
ESER145-ALA173
FSER145-ALA173

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Functional Information from SwissProt/UniProt

site_idNumber of ResiduesDetails
SWS_FT_FI11Proton acceptor.
ChainResidueDetails
ATYR158

SWS_FT_FI21Substrate (By similarity).
ChainResidueDetails
ASER145

SWS_FT_FI325NADP.
ChainResidueDetails
AVAL11-VAL35

SWS_FT_FI41Proton acceptor.
ChainResidueDetails
BTYR158

SWS_FT_FI51Substrate (By similarity).
ChainResidueDetails
BSER145

SWS_FT_FI625NADP.
ChainResidueDetails
BVAL11-VAL35

SWS_FT_FI71Proton acceptor.
ChainResidueDetails
ETYR158

SWS_FT_FI81Substrate (By similarity).
ChainResidueDetails
ESER145

SWS_FT_FI925NADP.
ChainResidueDetails
EVAL11-VAL35

SWS_FT_FI101Proton acceptor.
ChainResidueDetails
FTYR158

SWS_FT_FI111Substrate (By similarity).
ChainResidueDetails
FSER145

SWS_FT_FI1225NADP.
ChainResidueDetails
FVAL11-VAL35

CSA13Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ASER145
ATYR158
ALYS162

CSA23Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BSER145
BTYR158
BLYS162

CSA33Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ESER145
ETYR158
ELYS162

CSA43Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FSER145
FTYR158
FLYS162

CSA54Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ASER145
ATYR158
AASN116
ALYS162

CSA64Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BSER145
BTYR158
BASN116
BLYS162

CSA74Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ESER145
ETYR158
EASN116
ELYS162

CSA84Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FSER145
FTYR158
FASN116
FLYS162

CSA92Annotated By Reference To The Literature 1eq2
ChainResidueDetails
APHE155
ALYS162

CSA102Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BPHE155
BLYS162

CSA112Annotated By Reference To The Literature 1eq2
ChainResidueDetails
EPHE155
ELYS162

CSA122Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FPHE155
FLYS162

CSA132Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ATYR158
ALYS162

CSA142Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BTYR158
BLYS162

CSA152Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ETYR158
ELYS162

CSA162Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FTYR158
FLYS162

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Catalytic Information from CSA

site_idNumber of ResiduesDetails
CSA13Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ASER145
ATYR158
ALYS162

CSA23Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BSER145
BTYR158
BLYS162

CSA33Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ESER145
ETYR158
ELYS162

CSA43Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FSER145
FTYR158
FLYS162

CSA54Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ASER145
ATYR158
AASN116
ALYS162

CSA64Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BSER145
BTYR158
BASN116
BLYS162

CSA74Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ESER145
ETYR158
EASN116
ELYS162

CSA84Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FSER145
FTYR158
FASN116
FLYS162

CSA92Annotated By Reference To The Literature 1eq2
ChainResidueDetails
APHE155
ALYS162

CSA102Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BPHE155
BLYS162

CSA112Annotated By Reference To The Literature 1eq2
ChainResidueDetails
EPHE155
ELYS162

CSA122Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FPHE155
FLYS162

CSA132Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ATYR158
ALYS162

CSA142Annotated By Reference To The Literature 1eq2
ChainResidueDetails
BTYR158
BLYS162

CSA152Annotated By Reference To The Literature 1eq2
ChainResidueDetails
ETYR158
ELYS162

CSA162Annotated By Reference To The Literature 1eq2
ChainResidueDetails
FTYR158
FLYS162