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2Y71

Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate

Functional Information from GO Data
ChainGOidnamespacecontents
A0003855molecular_function3-dehydroquinate dehydratase activity
A0005829cellular_componentcytosol
A0008652biological_processamino acid biosynthetic process
A0009073biological_processaromatic amino acid family biosynthetic process
A0009423biological_processchorismate biosynthetic process
A0016829molecular_functionlyase activity
A0019631biological_processquinate catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE CB6 A 1144
ChainResidue
AASN12
AHIS101
AILE102
ASER103
AARG112
AHOH2076
AARG15
ATYR24
AASN75
AGLY77
AGLY78
AHIS81
AASP88
AGLU92

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 1145
ChainResidue
AASN6
AGLU70
AHOH2025
AHOH2044

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 1146
ChainResidue
ALEU128
AGLY129
AILE130
AGLN131
AHIS143
AHOH2123

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1147
ChainResidue
ASER54
ASER54
ASER54
AHOH2124
AHOH2124
AHOH2124
AHOH2125
AHOH2125

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1148
ChainResidue
AARG50
AHOH2042

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1149
ChainResidue
AGLN57
AHOH2057
AHOH2126

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1150
ChainResidue
AARG50
ATRP61
AGLN64
AHOH2066

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1151
ChainResidue
AARG87
AGLU109
APHE111
AARG113
APRO119
AHOH2128
AHOH2129

Functional Information from PROSITE/UniProt
site_idPS01029
Number of Residues18
DetailsDEHYDROQUINASE_II Dehydroquinase class II signature. INGPNLgrLGrREpavYG
ChainResidueDetails
AILE8-GLY25

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton donor"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues5
DetailsBinding site: {}
ChainResidueDetails

245663

PDB entries from 2025-12-03

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