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3L4P

Crystal structure of the Aldehyde Dehydrogenase (a.k.a. AOR or MOP) of Desulfovibrio gigas covalently bound to [AsO3]-

Replaces:  1ZCS
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 Residues10
DetailsBINDING SITE FOR RESIDUE FES A 909
ChainResidue
ACYS40
AGLU41
AGLY43
AGLN44
ACYS45
AGLY46
ACYS48
AARG58
ACYS60
AGLY39

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 910
ChainResidue
AHOH1391
AHOH1568
AHOH1760
AHOH1937
AHOH1938
AHOH2272

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 911
ChainResidue
AHOH1260
AHOH1750
AHOH1831
AHOH1843
AHOH1983
AHOH1984

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 912
ChainResidue
AHOH1395
AHOH1677
AHOH1708
AHOH1710
AHOH1828
AHOH1900

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 913
ChainResidue
AASP263
AGLU899
AGLU903
AHOH1723
AHOH1727
AHOH2813

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 914
ChainResidue
AHOH1337
AHOH1467
AHOH1647
AHOH1721
AHOH2611
AHOH2612

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE LI A 915
ChainResidue
AALA649
AGLU651
AGLY693
AHOH1243

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 916
ChainResidue
APRO258
ATHR259
AALA755
AHOH1438
AHOH2296

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 917
ChainResidue
APHE167
ASER178
ALYS179
AHOH1331
AHOH1765

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 918
ChainResidue
AARG123
ALYS605

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 919
ChainResidue
ATYR892
AARG893
AHOH1664

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 920
ChainResidue
ALYS248
APRO898
AGLU899

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 921
ChainResidue
ALYS473
ALYS473
AASP474

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 923
ChainResidue
AMET1
AALA19

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 925
ChainResidue
AASP342
ATHR343
AGLY344

site_idBC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE URE A 926
ChainResidue
AARG460
ASER461
ALEU498
AALA531
APHE532
ATYR535
AGLY536
AGLN539
AHOH957

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 930
ChainResidue
AASP826
AILE827
ALYS828
ALYS829
AHOH2595
AHOH2596

site_idCC1
Number of Residues37
DetailsBINDING SITE FOR RESIDUE PCD A 931
ChainResidue
AALA531
APHE532
AARG533
ATRP650
AHIS653
AGLY654
AGLN655
AGLY656
AGLY660
ASER695
AGLY696
AGLY697
AARG699
AGLN700
AGLN701
ALEU795
ASER797
ACYS799
AASN800
ATHR804
AGLN807
AALA864
ASER865
AGLY866
AVAL867
AGLY868
AGLU869
AAST932
AIPA933
AHOH1409
AHOH2814
AGLN99
ACYS139
AGLY419
ATHR420
APHE421
AGLY422

site_idCC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE AST A 932
ChainResidue
ATYR535
ATYR622
AGLY696
AGLY697
AGLU869
APCD931
AHOH1236

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE IPA A 933
ChainResidue
ATYR535
ALEU626
AGLY697
APCD931
AHOH1236

site_idCC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IPA A 934
ChainResidue
AASN691
AHOH1012

site_idCC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IPA A 935
ChainResidue
ALEU626

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 1457
ChainResidue
AASP288
AASP288
AHOH1935
AHOH1935

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

224201

PDB entries from 2024-08-28

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