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3RWB

Crystal structure of complex of 4PAL (4-Pyridoxolactone) and PLDH (tetrameric pyridoxal 4-dehydrogenase) from Mesorhizobium loti

Functional Information from GO Data
ChainGOidnamespacecontents
A0016491molecular_functionoxidoreductase activity
A0042820biological_processvitamin B6 catabolic process
A0050235molecular_functionpyridoxal 4-dehydrogenase activity
B0016491molecular_functionoxidoreductase activity
B0042820biological_processvitamin B6 catabolic process
B0050235molecular_functionpyridoxal 4-dehydrogenase activity
C0016491molecular_functionoxidoreductase activity
C0042820biological_processvitamin B6 catabolic process
C0050235molecular_functionpyridoxal 4-dehydrogenase activity
D0016491molecular_functionoxidoreductase activity
D0042820biological_processvitamin B6 catabolic process
D0050235molecular_functionpyridoxal 4-dehydrogenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues29
DetailsBINDING SITE FOR RESIDUE NAD A 251
ChainResidue
AGLY14
AASN88
AALA89
ASER90
AILE139
AALA140
ATYR154
ALYS158
APRO184
AGLY185
ALEU186
AGLN17
AILE187
ASER189
AGLY191
AVAL192
A4PL252
AHOH254
AHOH270
AHOH273
AHOH466
AHOH887
AGLY18
AILE19
AASP38
AILE39
AALA60
AASP61
AILE62

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 4PL A 252
ChainResidue
AVAL92
ASER141
AASN142
ATHR143
AMET151
ATYR154
ALEU186
AHIS197
ANAD251
AHOH902

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1
ChainResidue
APRO93
AHIS104
AHOH480
AHOH481

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 249
ChainResidue
AARG247
AHOH337
AHOH345
AHOH511
AHOH805
BARG247

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 250
ChainResidue
AARG232
CGLU217
CHIS218

site_idAC6
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAD B 251
ChainResidue
BGLY14
BGLN17
BGLY18
BILE19
BASP38
BILE39
BALA60
BASP61
BILE62
BASN88
BALA89
BSER90
BVAL92
BVAL111
BILE139
BALA140
BTYR154
BLYS158
BPRO184
BGLY185
BLEU186
BILE187
BSER189
BGLY191
BVAL192
B4PL252
BHOH262
BHOH264
BHOH270
BHOH337
BHOH533
BHOH767
BHOH785
BHOH904

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 4PL B 252
ChainResidue
BVAL92
BSER141
BASN142
BTHR143
BMET151
BTYR154
BLEU186
BHIS197
BNAD251
BHOH919

site_idAC8
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAD C 251
ChainResidue
CILE19
CASP38
CILE39
CALA60
CASP61
CILE62
CASN88
CALA89
CSER90
CVAL92
CVAL111
CILE139
CALA140
CTYR154
CLYS158
CPRO184
CGLY185
CLEU186
CILE187
CSER189
CGLY191
CVAL192
C4PL252
CHOH257
CHOH286
CHOH305
CHOH575
CHOH602
CHOH820
CHOH821
CHOH926
CGLY14
CGLN17
CGLY18

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 4PL C 252
ChainResidue
CVAL92
CSER141
CASN142
CTHR143
CMET151
CTYR154
CHIS197
CNAD251
CHOH869

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL C 249
ChainResidue
CASP99
CASP101
CHIS104
CHOH674

site_idBC2
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAD D 251
ChainResidue
DGLY14
DGLN17
DGLY18
DILE19
DASP38
DILE39
DALA60
DASP61
DILE62
DASN88
DALA89
DSER90
DVAL111
DILE139
DALA140
DSER141
DTYR154
DLYS158
DPRO184
DGLY185
DLEU186
DILE187
DSER189
DGLY191
DVAL192
D4PL252
DHOH279
DHOH291
DHOH403
DHOH426
DHOH669
DHOH868

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 4PL D 252
ChainResidue
DVAL92
DSER141
DASN142
DTHR143
DMET151
DTYR154
DLEU186
DNAD251
DHOH944

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL D 249
ChainResidue
BGLN215
BGLU217
BHIS218
DARG232
DHOH693

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. SntffagtpnMaaYVAAKGGViGFTrALA
ChainResidueDetails
ASER141-ALA169

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P69167, ECO:0000255|PROSITE-ProRule:PRU10001
ChainResidueDetails
ATYR154
BTYR154
CTYR154
DTYR154

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:P69167
ChainResidueDetails
ALEU11
ASER141
BLEU11
BSER141
CLEU11
CSER141
DLEU11
DSER141

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PDB entries from 2024-07-17

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