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6C5C

Crystal structure of the 3-dehydroquinate synthase (DHQS) domain of Aro1 from Candida albicans SC5314 in complex with NADH

Functional Information from GO Data
ChainGOidnamespacecontents
A0003856molecular_function3-dehydroquinate synthase activity
A0005737cellular_componentcytoplasm
A0009073biological_processaromatic amino acid family biosynthetic process
A0016838molecular_functioncarbon-oxygen lyase activity, acting on phosphates
B0003856molecular_function3-dehydroquinate synthase activity
B0005737cellular_componentcytoplasm
B0009073biological_processaromatic amino acid family biosynthetic process
B0016838molecular_functioncarbon-oxygen lyase activity, acting on phosphates
Functional Information from PDB Data
site_idAC1
Number of Residues30
Detailsbinding site for residue NAD A 401
ChainResidue
AASP42
AASP116
ATHR136
ATHR137
AASP143
ASER144
ALYS149
AASN159
APHE176
ATHR179
ALEU180
AASN44
AEDO409
AHOH522
AHOH523
AHOH540
AHOH544
AHOH571
AHOH577
AHOH579
AHOH585
AHOH600
AMET45
AHOH605
APRO78
AGLU80
ALYS83
AGLY111
AGLY112
AVAL113

site_idAC2
Number of Residues3
Detailsbinding site for residue EDO A 402
ChainResidue
ATHR43
ACYS75
AHOH556

site_idAC3
Number of Residues7
Detailsbinding site for residue EDO A 403
ChainResidue
ATYR51
ATHR73
ATYR74
ACYS75
AHOH520
AHOH618
AHOH639

site_idAC4
Number of Residues2
Detailsbinding site for residue EDO A 404
ChainResidue
APHE94
AGLN98

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 405
ChainResidue
AILE8
AGLY147
AGLN166
APRO167
AVAL170
AHOH529

site_idAC6
Number of Residues5
Detailsbinding site for residue EDO A 406
ChainResidue
AARG85
APRO155
AHOH581
AHOH625
BHOH513

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 407
ChainResidue
AALA305
AARG308
ALYS365
AILE366

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 408
ChainResidue
APRO303
AVAL304
AHOH614
BPRO302
BLYS365

site_idAC9
Number of Residues4
Detailsbinding site for residue EDO A 409
ChainResidue
AASP143
ALYS194
ALEU260
ANAD401

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 410
ChainResidue
AGLU208
ALYS311
ACYS312
AHOH507

site_idAD2
Number of Residues4
Detailsbinding site for residue CL A 411
ChainResidue
ALYS88
AHOH710
BLYS88
BHOH664

site_idAD3
Number of Residues28
Detailsbinding site for residue NAD B 401
ChainResidue
BHOH562
BHOH580
BHOH587
BASP42
BASN44
BMET45
BPRO78
BGLU80
BLYS83
BGLY111
BGLY112
BVAL113
BASP116
BTHR136
BTHR137
BASP143
BSER144
BLYS149
BASN159
BPHE176
BTHR179
BLEU180
BEDO404
BHOH502
BHOH503
BHOH517
BHOH535
BHOH553

site_idAD4
Number of Residues4
Detailsbinding site for residue EDO B 402
ChainResidue
BLEU96
BGLY99
BCYS100
BMET126

site_idAD5
Number of Residues5
Detailsbinding site for residue EDO B 403
ChainResidue
BILE8
BGLY147
BGLN166
BPRO167
BVAL170

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO B 404
ChainResidue
BASP143
BLYS194
BLEU260
BNAD401

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO B 405
ChainResidue
BILE270
BILE286
BLYS290
BSER321
BILE322
BLEU386

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor; for 3-dehydroquinate synthase activity => ECO:0000255|HAMAP-Rule:MF_03143
ChainResidueDetails
AGLU253
AHIS268
BGLU253
BHIS268

site_idSWS_FT_FI2
Number of Residues36
DetailsBINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03143
ChainResidueDetails
AASP42
AASN159
APHE176
AASN187
AGLU191
ALYS243
AARG257
AHIS264
AHIS280
ALYS351
BASP42
AGLU80
BGLU80
BGLY111
BASP116
BARG127
BTHR136
BASP143
BLYS149
BLYS158
BASN159
BPHE176
AGLY111
BASN187
BGLU191
BLYS243
BARG257
BHIS264
BHIS280
BLYS351
AASP116
AARG127
ATHR136
AASP143
ALYS149
ALYS158

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PDB entries from 2025-06-11

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