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4I3V

Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde and cofactor NAD+

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0008911molecular_functionlactaldehyde dehydrogenase activity
A0016491molecular_functionoxidoreductase activity
A0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B0000166molecular_functionnucleotide binding
B0008911molecular_functionlactaldehyde dehydrogenase activity
B0016491molecular_functionoxidoreductase activity
B0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C0000166molecular_functionnucleotide binding
C0008911molecular_functionlactaldehyde dehydrogenase activity
C0016491molecular_functionoxidoreductase activity
C0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D0000166molecular_functionnucleotide binding
D0008911molecular_functionlactaldehyde dehydrogenase activity
D0016491molecular_functionoxidoreductase activity
D0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E0000166molecular_functionnucleotide binding
E0008911molecular_functionlactaldehyde dehydrogenase activity
E0016491molecular_functionoxidoreductase activity
E0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F0000166molecular_functionnucleotide binding
F0008911molecular_functionlactaldehyde dehydrogenase activity
F0016491molecular_functionoxidoreductase activity
F0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G0000166molecular_functionnucleotide binding
G0008911molecular_functionlactaldehyde dehydrogenase activity
G0016491molecular_functionoxidoreductase activity
G0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H0000166molecular_functionnucleotide binding
H0008911molecular_functionlactaldehyde dehydrogenase activity
H0016491molecular_functionoxidoreductase activity
H0016620molecular_functionoxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE NAD A 501
ChainResidue
AILE154
APHE232
ASER235
AVAL238
ALEU241
AHOH737
AHOH765
AHOH771
AHOH930
ATHR155
APRO156
APHE157
ALYS181
ATHR183
AGLU184
APRO214
AGLY218

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE POA A 502
ChainResidue
AARG108
AASN158
AHIS159
AMET163
AGLU254
AARG290
ACYS291
ATHR292
AARG447
AHOH618
AHOH647

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE NAD B 501
ChainResidue
BILE154
BTHR155
BPRO156
BPHE157
BLYS181
BTHR183
BGLU184
BPRO214
BGLY218
BPHE232
BSER235
BVAL238
BLEU241
BHOH641
BHOH745
BHOH831

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE POA B 502
ChainResidue
BARG108
BHIS159
BGLU254
BARG290
BCYS291
BTHR292
BARG447
BHOH604
BHOH683
BHOH972

site_idAC5
Number of Residues15
DetailsBINDING SITE FOR RESIDUE NAD C 501
ChainResidue
CILE154
CTHR155
CPRO156
CPHE157
CLYS181
CTHR183
CGLU184
CGLY218
CPHE232
CGLY234
CSER235
CVAL238
CLEU241
CHOH775
CHOH869

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE POA C 502
ChainResidue
CARG108
CHIS159
CARG290
CCYS291
CTHR292
CARG447
CHOH606
CHOH698

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE NAD D 501
ChainResidue
DILE154
DTHR155
DPRO156
DPHE157
DLYS181
DTHR183
DGLU184
DPRO214
DGLY218
DPHE232
DSER235
DVAL238
DLEU241
DHOH753
DHOH758
DHOH907

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE POA D 502
ChainResidue
DARG447
DHOH628
DHOH679
DHOH909
DARG108
DASN158
DHIS159
DARG290
DCYS291
DTHR292

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE NAD E 501
ChainResidue
EILE154
ETHR155
EPRO156
EPHE157
ELYS181
ETHR183
EGLU184
EGLY218
EPHE232
ESER235
EVAL238
EHOH776
EHOH801
EHOH897

site_idBC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE POA E 502
ChainResidue
EARG108
EASN158
EHIS159
EARG290
ECYS291
ETHR292
EARG447
EHOH620
EHOH623
EHOH764

site_idBC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE NAD F 501
ChainResidue
FILE154
FTHR155
FPRO156
FPHE157
FLYS181
FTHR183
FGLU184
FGLY218
FPHE232
FSER235
FVAL238
FHOH760
FHOH770

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE POA F 502
ChainResidue
FARG108
FASN158
FHIS159
FMET163
FARG290
FCYS291
FTHR292
FARG447
FHOH604

site_idBC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE NAD G 501
ChainResidue
GILE154
GTHR155
GPRO156
GPHE157
GLYS181
GTHR183
GGLU184
GPRO214
GGLY218
GPHE232
GSER235
GVAL238
GLEU241
GHOH637
GHOH722
GHOH818
GHOH849
GHOH907

site_idBC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE POA G 502
ChainResidue
GARG108
GASN158
GHIS159
GMET163
GARG290
GCYS291
GTHR292
GARG447
GHOH606
GHOH610

site_idBC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE POA H 501
ChainResidue
HARG108
HASN158
HHIS159
HGLU254
HARG290
HCYS291
HTHR292
HARG447
HHOH722
HHOH819

Functional Information from PROSITE/UniProt
site_idPS00687
Number of Residues8
DetailsALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGNDP
ChainResidueDetails
ALEU253-PRO260

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: Proton donor/acceptor => ECO:0000255|PROSITE-ProRule:PRU10007, ECO:0000269|PubMed:24361046
ChainResidueDetails
AGLU254
BGLU254
CGLU254
DGLU254
EGLU254
FGLU254
GGLU254
HGLU254

site_idSWS_FT_FI2
Number of Residues8
DetailsACT_SITE: Nucleophile => ECO:0000269|PubMed:24361046
ChainResidueDetails
FCYS291
ACYS291
BCYS291
CCYS291
DCYS291
ECYS291
GCYS291
HCYS291

site_idSWS_FT_FI3
Number of Residues40
DetailsBINDING: BINDING => ECO:0000269|PubMed:24361046, ECO:0007744|PDB:4I3X
ChainResidueDetails
BGLU385
BARG447
CARG108
CHIS159
CARG290
CGLU385
CARG447
DARG108
DHIS159
DARG290
DGLU385
DARG447
EARG108
EHIS159
EARG290
EGLU385
EARG447
FARG108
FHIS159
FARG290
FGLU385
FARG447
GARG108
GHIS159
GARG290
GGLU385
GARG447
HARG108
HHIS159
HARG290
HGLU385
HARG447
AARG108
AHIS159
AARG290
AGLU385
AARG447
BARG108
BHIS159
BARG290

site_idSWS_FT_FI4
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|PubMed:24361046, ECO:0007744|PDB:4I3V, ECO:0007744|PDB:4I3W, ECO:0007744|PDB:4I3X
ChainResidueDetails
ETHR155
ELYS181
ESER235
FTHR155
FLYS181
FSER235
ATHR155
ALYS181
ASER235
BTHR155
BLYS181
BSER235
CTHR155
CLYS181
CSER235
DTHR155
DLYS181
DSER235
GTHR155
GLYS181
GSER235
HTHR155
HLYS181
HSER235

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PDB entries from 2024-06-12

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