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1FM7

CHALCONE ISOMERASE COMPLEXED WITH 5-DEOXYFLAVANONE

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 Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 601
ChainResidue
ALEU78
BGLY125
BASP126
BALA127
BHOH633
BHOH646
BHOH677
BHOH683

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 602
ChainResidue
AASP126
AALA127
AGLU128
AHOH649
AHOH676
AHOH684
BLEU78
AGLY125

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 604
ChainResidue
AVAL197
ASER198

site_idAC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE DFV A 501
ChainResidue
AARG36
ALEU38
AGLU41
ATHR48
AILE50
AGLU105
ATYR106
ALYS109
AVAL110
AASN113
ATHR190
AMET191
AHOH660

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DFV B 502
ChainResidue
BARG36
BLEU38
BTHR48
BTYR106
BASN113
BTHR190
BHOH654

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsSite: {"description":"Important for catalytic activity"}
ChainResidueDetails

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 2025-07-23

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