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3RQ2

Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADH

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0016829molecular_functionlyase activity
A0016836molecular_functionhydro-lyase activity
A0046496biological_processnicotinamide nucleotide metabolic process
A0052855molecular_functionADP-dependent NAD(P)H-hydrate dehydratase activity
A0052856molecular_functionNADHX epimerase activity
A0052857molecular_functionNADPHX epimerase activity
A0110051biological_processmetabolite repair
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 277
ChainResidue
AAMP278
AHOH296
AHOH297
AHOH318
AHOH319

site_idAC2
Number of Residues25
DetailsBINDING SITE FOR RESIDUE AMP A 278
ChainResidue
ALYS186
AGLY187
ATHR190
AASN206
AGLY207
ALEU209
AALA210
ATHR214
AGLY215
ALEU218
AHIS243
AMG277
AHOH287
AHOH290
AHOH296
AHOH297
AHOH315
AHOH327
AHOH330
AHOH357
AHOH377
AALA20
ASER22
ALYS24
AHIS149

site_idAC3
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAX A 279
ChainResidue
AHIS23
ALYS24
AMET39
AGLY41
AALA42
ALYS57
APRO75
AGLU76
AALA77
ATHR78
APRO103
AGLY104
AALA129
AHIS149
APRO150
AGLY151
AVAL161
AASP216
AHOH285
AHOH289
AHOH297
AHOH303
AHOH315
AHOH319
AHOH332
AHOH341
AHOH345
AHOH377
AHOH378
AHOH409
AHOH442
AHOH445

Functional Information from PROSITE/UniProt
site_idPS01049
Number of Residues11
DetailsYJEF_C_1 YjeF C-terminal domain signature 1. AIAIGPGLPqT
ChainResidueDetails
AALA98-THR108

site_idPS01050
Number of Residues11
DetailsYJEF_C_2 YjeF C-terminal domain signature 2. GGtGDTLTGmI
ChainResidueDetails
AGLY212-ILE222

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:22940582, ECO:0007744|PDB:3RPZ
ChainResidueDetails
AALA42
AGLY104
AHIS149
ALYS186
AGLY215
AASP216

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PDB entries from 2024-07-31

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