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6CJN

Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T mutation

Functional Information from GO Data
ChainGOidnamespacecontents
A0009813biological_processflavonoid biosynthetic process
A0016853molecular_functionisomerase activity
A0016872molecular_functionintramolecular lyase activity
A0045430molecular_functionchalcone isomerase activity
B0009813biological_processflavonoid biosynthetic process
B0016853molecular_functionisomerase activity
B0016872molecular_functionintramolecular lyase activity
B0045430molecular_functionchalcone isomerase activity
Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue SO4 A 301
ChainResidue
AGLY125
AASP126
AALA127
AGLU128
AHOH401
AHOH404
AHOH408

site_idAC2
Number of Residues3
Detailsbinding site for residue SO4 A 302
ChainResidue
ALEU177
ALYS134
AALA176

site_idAC3
Number of Residues4
Detailsbinding site for residue SO4 A 303
ChainResidue
AARG36
ATHR190
AVAL197
ASER198

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 B 301
ChainResidue
AHOH414
BGLY125
BASP126
BALA127
BGLU128
BHOH402

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 B 302
ChainResidue
AGLU215
BLYS134
BALA176
BLEU177

site_idAC6
Number of Residues5
Detailsbinding site for residue SO4 B 303
ChainResidue
BARG36
BTHR190
BALA196
BVAL197
BSER198

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ATHR48
AASN113
ATHR190
BTHR48
BASN113
BTHR190

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Important for catalytic activity
ChainResidueDetails
ATYR106
BTYR106

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 196
ChainResidueDetails
AARG36
ATHR48electrostatic stabiliser, hydrogen bond donor
ALYS97modifies pKa
ATYR106activator, hydrogen bond donor

site_idMCSA2
Number of Residues4
DetailsM-CSA 196
ChainResidueDetails
BARG36
BTHR48electrostatic stabiliser, hydrogen bond donor
BLYS97modifies pKa
BTYR106activator, hydrogen bond donor

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PDB entries from 2024-10-30

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