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4US8

Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde

Functional Information from GO Data
ChainGOidnamespacecontents
A0005506molecular_functioniron ion binding
A0016491molecular_functionoxidoreductase activity
A0033727molecular_functionaldehyde dehydrogenase (FAD-independent) activity
A0046872molecular_functionmetal ion binding
A0051536molecular_functioniron-sulfur cluster binding
A0051537molecular_function2 iron, 2 sulfur cluster binding
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE FES A 908
ChainResidue
AGLN99
ACYS100
AGLY101
ACYS103
ACYS137
AARG138
ACYS139
AILE368

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FES A 909
ChainResidue
ACYS40
AGLU41
AGLY43
AGLN44
ACYS45
AGLY46
ACYS48
ACYS60
AGLY39

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PGE A 912
ChainResidue
ATYR397
AASN691
AHOH3255

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE IPA A 913
ChainResidue
ALYS884
AGLY888
AVAL889
AARG890
ATYR892
AHOH2922

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE BCT A 914
ChainResidue
AARG460
ASER461
ALEU498
AALA531
APHE532
ATYR535
AGLY536
AGLN539
AHOH2866

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 915
ChainResidue
AHOH2230
AHOH2236
AHOH2405
AHOH3257
AHOH3258
AHOH3259

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 916
ChainResidue
AHOH3193
AHOH3195
AHOH3260
AHOH3261
AHOH3262
AHOH3263

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 917
ChainResidue
AASP263
AGLU899
AGLU903
AHOH2641
AHOH2642
AHOH3264

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 918
ChainResidue
AHOH2901
AHOH3265
AHOH3266
AHOH3267
AHOH3268
AHOH3269

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 919
ChainResidue
ATYR892
AARG893
AHOH2707

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 920
ChainResidue
ALYS248
APRO898
AGLU899

site_idBC3
Number of Residues36
DetailsBINDING SITE FOR RESIDUE PCD A 921
ChainResidue
AHOH3044
AHOH3079
AGLN99
ACYS139
ATHR420
APHE421
AGLY422
AALA531
APHE532
AARG533
ATRP650
AHIS653
AGLY654
AGLN655
AGLY656
AGLY660
ASER695
AGLY696
AGLY697
ASER698
AARG699
AGLN700
AGLN701
ALEU795
ASER797
ACYS799
AASN800
ATHR804
AGLN807
AALA864
ASER865
AGLY866
AVAL867
AGLY868
AGLU869
AHOH3013

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE HBX A 922
ChainResidue
APHE425
ALEU497
AARG501
ATYR535
ALEU626
AASP627
AHOH3013

Functional Information from PROSITE/UniProt
site_idPS00197
Number of Residues9
Details2FE2S_FER_1 2Fe-2S ferredoxin-type iron-sulfur binding region signature. CEQGQCGAC
ChainResidueDetails
ACYS40-CYS48

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:7502041
ChainResidueDetails
ACYS40
ACYS45
ACYS48
ACYS60
ACYS100
ACYS103
ACYS137
ACYS139

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING:
ChainResidueDetails
AHIS653
AGLU869

Catalytic Information from CSA
site_idMCSA1
Number of Residues1
DetailsM-CSA 105
ChainResidueDetails
AGLU869covalently attached, hydrogen bond acceptor, hydrogen bond donor, metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor

223532

PDB entries from 2024-08-07

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