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3CGD

Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016491molecular_functionoxidoreductase activity
B0000166molecular_functionnucleotide binding
B0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE COA A 445
ChainResidue
AASP9
AASN304
AARG308
BTYR425
BARG441
BARG442
AMET13
ASER14
AMET17
AGLN18
AARG21
ASER38
ATYR39
AARG61

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE COA B 445
ChainResidue
ATYR425
AARG441
AARG442
BASP9
BALA10
BMET13
BMET17
BGLN18
BARG21
BSER38
BTYR39
BARG61
BASN304
BARG308

site_idAC3
Number of Residues23
DetailsBINDING SITE FOR RESIDUE FAD A 446
ChainResidue
AILE6
AGLY7
AASP9
AALA10
AALA11
ALEU31
AGLU32
ALYS33
AGLN41
ACYS42
AHIS78
AALA111
ATHR112
AGLY113
AGLY281
AASP282
AILE299
AGLY300
ATHR301
AALA303
BTYR425
BALA426
BPRO427

site_idAC4
Number of Residues25
DetailsBINDING SITE FOR RESIDUE FAD B 446
ChainResidue
ATYR425
AALA426
APRO427
BILE6
BGLY7
BASP9
BALA10
BALA11
BLEU31
BGLU32
BLYS33
BGLN41
BCYS42
BHIS78
BGLU79
BALA111
BTHR112
BGLY113
BLEU132
BGLY281
BASP282
BILE299
BGLY300
BTHR301
BALA303

site_idAC5
Number of Residues17
DetailsBINDING SITE FOR RESIDUE NAD A 818
ChainResidue
ATRP121
AILE156
AGLY157
AGLY159
AALA160
AILE161
AGLU164
AILE179
AGLU180
AARG181
AASN182
ATHR187
ASER241
AGLY243
APRO298
AILE299
AILE329

site_idAC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE NAD B 819
ChainResidue
BILE179
BGLU180
BARG181
BTHR187
BSER241
BGLY243
BPRO298
BILE299
BILE329
BILE156
BGLY157
BGLY159
BALA160
BILE161
BGLU164

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PDB entries from 2024-08-07

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