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3ICT

Crystal structure of reduced 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 Residues31
DetailsBINDING SITE FOR RESIDUE FAD A 555
ChainResidue
AGLY9
AGLU81
AVAL82
ASER113
APRO114
AGLY115
ALEU135
AARG136
ALEU252
AGLY283
AASP284
AVAL11
APRO300
ALEU301
AALA302
AALA305
ACOA556
AHOH572
AHOH592
AHOH598
AHOH612
AHOH620
AALA12
AHOH662
BTYR428
AGLY13
AGLU34
AARG35
AASN43
ACYS44
ASER80

site_idAC2
Number of Residues28
DetailsBINDING SITE FOR RESIDUE COA A 556
ChainResidue
AALA12
AALA15
AALA19
AARG20
AARG23
ASER40
APHE41
AASN43
ACYS44
APHE72
AASN306
AARG310
AFAD555
AHOH565
AHOH589
AHOH594
AHOH606
BHIS361
BTYR428
BLYS436
BMSE441
BTYR444
BALA445
BASN448
BLEU516
BGLY517
BMSE518
BTYR521

site_idAC3
Number of Residues29
DetailsBINDING SITE FOR RESIDUE FAD B 555
ChainResidue
ATYR428
APRO430
BVAL8
BGLY9
BVAL11
BALA12
BGLY13
BGLU34
BARG35
BASN43
BCYS44
BSER80
BVAL82
BSER113
BPRO114
BGLY115
BLEU135
BARG136
BGLY283
BASP284
BPRO300
BLEU301
BALA302
BALA305
BHOH569
BHOH587
BHOH603
BHOH628
BHOH634

site_idAC4
Number of Residues25
DetailsBINDING SITE FOR RESIDUE COA B 556
ChainResidue
BALA19
BARG20
BARG23
BSER40
BALA42
BASN43
BCYS44
BGLN63
BASN306
BARG310
BHOH588
BHOH611
BHOH663
BHOH685
ATYR370
ATYR428
AALA435
ALYS436
ATYR444
AASN448
ALEU516
AMSE518
ATYR521
BVAL11
BALA15

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE ADP B 600
ChainResidue
BGLY160
BGLY162
BPHE163
BILE164
BGLU183
BMSE184
BPRO190
BALA243
BILE244
BGLY245
BHOH672
BHOH689
BHOH696

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PDB entries from 2024-06-12

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