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2Y77

Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)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 Residues16
DetailsBINDING SITE FOR RESIDUE CB8 A 1144
ChainResidue
AASN12
AGLU92
AHIS101
AILE102
ASER103
AVAL105
AARG112
AHOH2003
ALEU13
AARG15
ALEU16
AASN75
AGLY77
AGLY78
AHIS81
AASP88

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1145
ChainResidue
AARG87
AGLU109
APHE111
AARG113
APRO119
AHOH2102
AHOH2103
AHOH2104

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1146
ChainResidue
AARG50
ATRP61
AGLN64

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1147
ChainResidue
AGLN57
AHOH2105
AHOH2106

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE SO4 A 1148
ChainResidue
ASER54
ASER54
ASER54
AALA56
AALA56
AALA56
AHOH2046
AHOH2046
AHOH2046
AHOH2107
AHOH2107
AHOH2107

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
AILE102
AARG112

site_idSWS_FT_FI4
Number of Residues1
DetailsSITE: Transition state stabilizer
ChainResidueDetails
AARG19

227111

PDB entries from 2024-11-06

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