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3S2F

Crystal Structure of FurX NADH:Furfural

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0008270molecular_functionzinc ion binding
A0016491molecular_functionoxidoreductase activity
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0008270molecular_functionzinc ion binding
B0016491molecular_functionoxidoreductase activity
B0046872molecular_functionmetal ion binding
C0000166molecular_functionnucleotide binding
C0008270molecular_functionzinc ion binding
C0016491molecular_functionoxidoreductase activity
C0046872molecular_functionmetal ion binding
D0000166molecular_functionnucleotide binding
D0008270molecular_functionzinc ion binding
D0016491molecular_functionoxidoreductase activity
D0046872molecular_functionmetal ion binding
E0000166molecular_functionnucleotide binding
E0008270molecular_functionzinc ion binding
E0016491molecular_functionoxidoreductase activity
E0046872molecular_functionmetal ion binding
F0000166molecular_functionnucleotide binding
F0008270molecular_functionzinc ion binding
F0016491molecular_functionoxidoreductase activity
F0046872molecular_functionmetal ion binding
G0000166molecular_functionnucleotide binding
G0008270molecular_functionzinc ion binding
G0016491molecular_functionoxidoreductase activity
G0046872molecular_functionmetal ion binding
H0000166molecular_functionnucleotide binding
H0008270molecular_functionzinc ion binding
H0016491molecular_functionoxidoreductase activity
H0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 500
ChainResidue
ACYS42
AHIS65
AGLU66
ACYS152

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 501
ChainResidue
ACYS96
AGLY97
ACYS99
ACYS102
ACYS110

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ISP A 600
ChainResidue
ATHR44
AHIS65
ATRP91
AILE289
AVAL290
AHOH1576

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 701
ChainResidue
ACYS42
AHIS43
AGLY179
AARG335
AHOH1090
AHOH1577
AHOH1648

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 702
ChainResidue
AARG86
AGLY143
APHE144
AHOH724
AHOH1663
AHOH2167

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 500
ChainResidue
BCYS42
BHIS65
BGLU66
BCYS152

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 501
ChainResidue
BCYS96
BCYS99
BCYS102
BCYS110

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ISP B 600
ChainResidue
BTHR44
BHIS65
BTRP91
BILE289
BVAL290
BHOH1575

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 701
ChainResidue
BCYS42
BHIS43
BGLY179
BARG335
BHOH378
BHOH425
BHOH622

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 702
ChainResidue
BARG86
BPHE144
BHOH348
BHOH1145
BHOH1798
BHOH2079

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 500
ChainResidue
CCYS42
CHIS65
CGLU66
CCYS152

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 501
ChainResidue
CCYS96
CCYS99
CCYS102
CCYS110

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ISP C 600
ChainResidue
CTHR44
CHIS65
CTRP91
CVAL290
CHOH767

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 C 701
ChainResidue
CCYS42
CHIS43
CGLY179
CARG335
CHOH351
CHOH583
CHOH1779

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 C 702
ChainResidue
CARG86
CGLY143
CPHE144
CHOH387
CHOH651
CHOH1252

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 500
ChainResidue
DCYS42
DHIS65
DGLU66
DCYS152

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN D 501
ChainResidue
DCYS96
DGLY97
DCYS99
DCYS102
DCYS110

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ISP D 600
ChainResidue
DTHR44
DHIS65
DTRP91
DVAL290
DHOH1574

site_idCC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 D 701
ChainResidue
DARG335
DHOH1086
DHOH2045
DCYS42
DHIS43
DGLY179
DLEU180

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 702
ChainResidue
DARG86
DGLY143
DPHE144
DHOH393

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN E 500
ChainResidue
ECYS42
EHIS65
ECYS152
EFU2600
ENAD1250

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN E 501
ChainResidue
ECYS96
EGLY97
ECYS99
ECYS102
ECYS110

site_idCC5
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAD E 1250
ChainResidue
CVAL279
EHIS43
ETHR44
ECYS152
ETHR156
EGLY176
EILE177
EGLY178
EGLY179
ELEU180
EASP199
EILE200
ELYS204
ETHR241
EALA242
EVAL243
EASN264
ELEU266
ESER288
EILE289
EVAL290
ELEU327
EARG335
EHOH365
EHOH373
EHOH385
EZN500
EFU2600
EHOH687
EHOH1089
EHOH1504

site_idCC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FU2 E 600
ChainResidue
ECYS42
ETHR44
ETRP53
EHIS65
ETRP91
ECYS152
EILE289
EZN500
ENAD1250

site_idCC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 E 702
ChainResidue
EGLY143
EPHE144
EVAL145
EHOH826
GARG342
GHOH368
GHOH402

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN F 500
ChainResidue
FCYS42
FHIS65
FCYS152
FFU2600
FNAD1250

site_idCC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN F 501
ChainResidue
FCYS96
FCYS99
FCYS102
FCYS110

site_idDC1
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAD F 1250
ChainResidue
DVAL279
FHIS43
FTHR44
FCYS152
FTHR156
FSER175
FGLY176
FILE177
FGLY178
FGLY179
FLEU180
FASP199
FILE200
FLYS204
FTHR241
FALA242
FVAL243
FSER244
FALA247
FASN264
FLEU266
FSER288
FILE289
FVAL290
FLEU327
FARG335
FHOH364
FHOH433
FZN500
FHOH571
FHOH577
FFU2600
FHOH640
FHOH1549

site_idDC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE FU2 F 600
ChainResidue
FCYS42
FTHR44
FHIS65
FTRP91
FCYS152
FILE289
FZN500
FNAD1250

site_idDC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 F 702
ChainResidue
FGLY143
FPHE144
FVAL145
FHOH1091
FHOH1101
FHOH1579
HARG342
HHOH513
HHOH562

site_idDC4
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAD G 1250
ChainResidue
AVAL279
GHIS43
GTHR44
GHIS47
GCYS152
GTHR156
GGLY176
GGLY178
GGLY179
GLEU180
GASP199
GILE200
GTHR241
GALA242
GVAL243
GSER244
GALA247
GASN264
GLEU266
GSER288
GILE289
GVAL290
GLEU327
GARG335
GHOH344
GHOH444
GZN500
GHOH586
GFU2600
GHOH1092
GHOH1351

site_idDC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN G 500
ChainResidue
GCYS42
GHIS65
GCYS152
GFU2600
GNAD1250

site_idDC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN G 501
ChainResidue
GCYS96
GGLY97
GCYS99
GCYS102
GCYS110

site_idDC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FU2 G 600
ChainResidue
GCYS42
GTHR44
GTRP53
GHIS65
GTRP91
GCYS152
GILE289
GZN500
GNAD1250

site_idDC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 G 702
ChainResidue
EHOH1215
GARG86
GGLY143
GPHE144
GHOH1312
GHOH1358
GHOH1719
GHOH1731

site_idDC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 G 703
ChainResidue
GASN206
GARG210
GHOH1181
GHOH1717
GHOH1918
HARG209
HVAL215
HALA216
HHOH1190

site_idEC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FU2 H 600
ChainResidue
HTHR44
HTRP53
HHIS65
HTRP91
HCYS152
HLEU266
HILE289
HZN500
HNAD1250

site_idEC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN H 500
ChainResidue
HCYS42
HHIS65
HCYS152
HFU2600
HNAD1250

site_idEC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN H 501
ChainResidue
HCYS96
HGLY97
HCYS99
HCYS102
HCYS110

site_idEC4
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NAD H 1250
ChainResidue
BVAL279
HCYS42
HHIS43
HTHR44
HHIS47
HCYS152
HTHR156
HGLY176
HILE177
HGLY178
HGLY179
HLEU180
HASP199
HILE200
HLYS204
HTHR241
HALA242
HVAL243
HSER244
HASN264
HLEU266
HSER288
HILE289
HVAL290
HLEU327
HARG335
HHOH376
HHOH389
HZN500
HHOH569
HFU2600
HHOH768
HHOH1410
HHOH1787
HHOH1912

site_idEC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 H 702
ChainResidue
FHOH1356
HARG86
HGLY143
HPHE144
HHOH562
HHOH1100
HHOH1942
HHOH1957

site_idEC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 H 703
ChainResidue
GARG209
GVAL215
GALA216
GHOH1449
HASN206
HARG210
HHOH353
HHOH1594
HHOH1678
HHOH1683

Functional Information from PROSITE/UniProt
site_idPS00059
Number of Residues15
DetailsADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEgVGYvsavGsgV
ChainResidueDetails
AGLY64-VAL78

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PDB entries from 2024-07-17

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