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2NNL

Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site

Functional Information from GO Data
ChainGOidnamespacecontents
D0009718biological_processanthocyanin-containing compound biosynthetic process
D0009813biological_processflavonoid biosynthetic process
D0016491molecular_functionoxidoreductase activity
D0045552molecular_functiondihydrokaempferol 4-reductase activity
D0047890molecular_functionflavanone 4-reductase activity
F0009718biological_processanthocyanin-containing compound biosynthetic process
F0009813biological_processflavonoid biosynthetic process
F0016491molecular_functionoxidoreductase activity
F0045552molecular_functiondihydrokaempferol 4-reductase activity
F0047890molecular_functionflavanone 4-reductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP D 1330
ChainResidue
DSER14
DALA85
DTHR86
DMET88
DTHR126
DSER127
DTYR163
DLYS167
DPRO190
DTHR191
DVAL193
DGLY15
DPRO204
DSER205
DERD1331
DHOH1333
DHOH1359
DHOH1369
DHOH1406
DHOH1573
DHOH1574
DHOH1575
DPHE16
DHOH1576
DHOH1577
DHOH1578
DHOH1580
DILE17
DARG37
DLYS44
DASP64
DLEU65
DVAL84

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE ERD D 1331
ChainResidue
DPHE90
DSER128
DASN133
DILE134
DTYR163
DLEU192
DPRO204
DSER205
DTHR208
DILE222
DGLN227
DNAP1330
DHOH1494
DHOH1500
DHOH1580
DHOH1581

site_idAC3
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NAP F 2330
ChainResidue
FGLY12
FSER14
FGLY15
FPHE16
FILE17
FARG37
FLYS44
FASP64
FLEU65
FVAL84
FALA85
FTHR86
FPRO87
FMET88
FTHR126
FSER127
FTYR163
FLYS167
FPRO190
FTHR191
FLEU192
FVAL193
FPRO204
FSER205
FERD2331
FHOH2338
FHOH2342
FHOH2423
FHOH2631
FHOH2632
FHOH2633
FHOH2634
FHOH2635
FHOH2637
FHOH2639

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE ERD F 2331
ChainResidue
FSER128
FASN133
FILE134
FTYR163
FLEU192
FPRO204
FSER205
FTHR208
FILE222
FGLN227
FNAP2330
FHOH2530
FHOH2545
FHOH2638
FHOH2639

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q12068
ChainResidueDetails
DLYS167
FLYS167

site_idSWS_FT_FI2
Number of Residues28
DetailsBINDING: BINDING => ECO:0000269|Ref.2, ECO:0007744|PDB:2NNL
ChainResidueDetails
DGLY12
DPRO190
DPRO204
DSER205
DTHR208
DGLN227
FGLY12
FARG37
FLYS44
FASP64
FVAL84
DARG37
FSER128
FASN133
FTYR163
FLYS167
FPRO190
FPRO204
FSER205
FTHR208
FGLN227
DLYS44
DASP64
DVAL84
DSER128
DASN133
DTYR163
DLYS167

Catalytic Information from CSA
site_idCSA1
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DPHE152
DLYS156
DSER128

site_idCSA2
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FPHE152
FLYS156
FSER128

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DLYS167
DSER128
DTYR163

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FLYS167
FSER128
FTYR163

site_idCSA5
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
DPHE152
DLYS156

site_idCSA6
Number of Residues2
DetailsAnnotated By Reference To The Literature 1eq2
ChainResidueDetails
FPHE152
FLYS156

237735

PDB entries from 2025-06-18

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