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1FM8

CHALCONE ISOMERASE COMPLEXED WITH 5,4'-DIDEOXYFLAVANONE

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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 601
ChainResidue
ALEU78
BGLY125
BASP126
BALA127
BGLU128
BHOH629

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 602
ChainResidue
AGLU128
AHOH629
BLEU78
AGLY125
AASP126
AALA127

site_idAC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE DDC A 501
ChainResidue
AARG36
APHE47
ATHR48
AILE50
ATYR106
ALYS109
AVAL110
AASN113
ATHR190
AHOH661

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_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eyp
ChainResidueDetails
AASN113
ATHR48
ATYR106
ATHR190

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1eyp
ChainResidueDetails
BASN113
BTHR48
BTYR106
BTHR190

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 2024-07-24

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