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3ICR

Crystal structure of oxidized Bacillus anthracis CoADR-RHD

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0003756molecular_functionprotein disulfide isomerase activity
A0016491molecular_functionoxidoreductase activity
A0050451molecular_functionCoA-disulfide reductase (NADPH) activity
A0050660molecular_functionflavin adenine dinucleotide binding
A0050661molecular_functionNADP binding
B0000166molecular_functionnucleotide binding
B0003756molecular_functionprotein disulfide isomerase activity
B0016491molecular_functionoxidoreductase activity
B0050451molecular_functionCoA-disulfide reductase (NADPH) activity
B0050660molecular_functionflavin adenine dinucleotide binding
B0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues32
DetailsBINDING SITE FOR RESIDUE FAD A 555
ChainResidue
AGLY9
AVAL82
ASER113
APRO114
AGLY115
ALEU135
AARG136
ALEU252
AGLY283
AASP284
APRO300
AVAL11
ALEU301
AALA302
AALA305
ACOA556
AHOH558
AHOH572
AHOH599
AHOH671
AHOH698
AHOH858
AALA12
AHOH860
BTYR428
BALA429
AGLY13
AGLU34
AARG35
AASN43
ACYS44
ASER80

site_idAC2
Number of Residues33
DetailsBINDING SITE FOR RESIDUE COA A 556
ChainResidue
AALA12
AALA15
AALA19
AARG20
AARG23
ASER40
APHE41
AASN43
ACYS44
APHE72
AALA302
AASN306
AARG310
AFAD555
AHOH573
AHOH637
AHOH857
AHOH859
AHOH865
AHOH866
AHOH876
AHOH912
BTYR428
BLYS436
BMSE441
BTYR444
BALA445
BASN448
BLEU516
BGLY517
BMSE518
BTYR521
BHOH668

site_idAC3
Number of Residues37
DetailsBINDING SITE FOR RESIDUE FAD B 555
ChainResidue
BHOH824
BHOH825
BHOH836
ATYR428
AALA429
APRO430
BGLY9
BVAL11
BALA12
BGLY13
BVAL33
BGLU34
BARG35
BASN43
BCYS44
BSER80
BGLU81
BVAL82
BSER113
BPRO114
BGLY115
BLEU135
BARG136
BLEU252
BGLY283
BASP284
BPRO300
BLEU301
BALA302
BALA305
BCOA556
BHOH557
BHOH563
BHOH575
BHOH630
BHOH653
BHOH768

site_idAC4
Number of Residues28
DetailsBINDING SITE FOR RESIDUE COA B 556
ChainResidue
ATYR428
ALYS436
ATYR444
AASN448
ALEU516
AGLY517
AMSE518
ATYR521
AHOH841
BVAL11
BALA15
BSER16
BALA19
BARG20
BARG23
BSER40
BPHE41
BASN43
BCYS44
BPHE72
BASN306
BARG310
BFAD555
BHOH570
BHOH580
BHOH613
BHOH841
BHOH858

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PDB entries from 2024-07-24

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