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2Y76

Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-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 Residues16
DetailsBINDING SITE FOR RESIDUE CB7 A 1144
ChainResidue
AASN12
AHIS101
AILE102
ASER103
AARG108
AARG112
AHOH2027
AHOH2048
ALEU13
AASN75
AGLY77
AGLY78
AHIS81
AASP88
AALA91
AGLU92

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1145
ChainResidue
AARG87
AGLU109
APHE111
AARG113
APRO119
AHOH2049

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A 1146
ChainResidue
ASER54
ASER54
ASER54
AALA56
AHOH2050
AHOH2050
AHOH2051
AHOH2051
AHOH2051

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1147
ChainResidue
AARG50
ATRP61
AGLN64
AHOH2021

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
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
ATYR24

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor
ChainResidueDetails
AHIS101

site_idSWS_FT_FI3
Number of Residues5
DetailsBINDING:
ChainResidueDetails
AASN75
AHIS81
AASP88
AARG112
AILE102

site_idSWS_FT_FI4
Number of Residues1
DetailsSITE: Transition state stabilizer
ChainResidueDetails
AARG19

219869

PDB entries from 2024-05-15

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