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4CIW

Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid

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 Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1144
ChainResidue
ASER54
ASER54
ASER54
AHOH2032
AHOH2032
AHOH2078
AHOH2078
AHOH2078

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 1145
ChainResidue
AGLU70
AHOH2024
AHOH2038
AHOH2080
AASN6

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NA A 1146
ChainResidue
ALEU128
AILE130
AGLN131

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 1147
ChainResidue
AARG87
AARG113
AHIS114
AHOH2051

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE XH2 A 1148
ChainResidue
AASN12
ATYR24
AASN75
AGLY77
AGLY78
AHIS81
AASP88
AHIS101
AILE102
ASER103
AARG112

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

220113

PDB entries from 2024-05-22

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