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4UBS

The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0016491molecular_functionoxidoreductase activity
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0016713molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced iron-sulfur protein as one donor, and incorporation of one atom of oxygen
A0017000biological_processantibiotic biosynthetic process
A0020037molecular_functionheme binding
A0046872molecular_functionmetal ion binding
A0055114biological_processobsolete oxidation-reduction process
A1901336biological_processlactone biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues17
Detailsbinding site for residue HEM A 501
ChainResidue
ALEU92
AALA343
APHE344
AGLY345
AHIS349
ACYS351
AGLY353
ADIF503
AHOH681
ALEU93
AHIS100
AARG104
ALEU238
AGLY242
ATHR245
AMET249
AARG293

site_idAC2
Number of Residues11
Detailsbinding site for residue DIF A 502
ChainResidue
AARG70
AVAL85
ALEU93
ALEU177
ASER233
ATHR236
ALEU237
AILE240
ADIF503
APGE504
APO4523

site_idAC3
Number of Residues8
Detailsbinding site for residue DIF A 503
ChainResidue
ATHR245
AASP289
AGLY290
ALEU291
ALEU292
AHEM501
ADIF502
APGE504

site_idAC4
Number of Residues6
Detailsbinding site for residue PGE A 504
ChainResidue
AARG81
ALEU177
ALEU178
AASP390
ADIF502
ADIF503

site_idAC5
Number of Residues6
Detailsbinding site for residue PGE A 505
ChainResidue
AARG88
AARG89
AASP194
ATYR198
AARG228
AHOH639

site_idAC6
Number of Residues3
Detailsbinding site for residue PGE A 506
ChainResidue
ASER172
AARG175
AGLY180

site_idAC7
Number of Residues9
Detailsbinding site for residue PGE A 507
ChainResidue
AASP128
AGLU135
AASN355
AARG358
AARG371
APEG511
AHOH607
AHOH616
AHOH903

site_idAC8
Number of Residues9
Detailsbinding site for residue PGE A 508
ChainResidue
AMET134
AGLN137
ASER145
AALA146
AMET154
ATYR164
AHOH678
AHOH704
AHOH858

site_idAC9
Number of Residues2
Detailsbinding site for residue PEG A 509
ChainResidue
ATHR126
AGLY129

site_idAD1
Number of Residues5
Detailsbinding site for residue PEG A 510
ChainResidue
AALA55
AALA56
AALA269
AGLU270
AHOH634

site_idAD2
Number of Residues2
Detailsbinding site for residue PEG A 511
ChainResidue
APGE507
AHOH616

site_idAD3
Number of Residues5
Detailsbinding site for residue PEG A 512
ChainResidue
AGLN192
ATYR196
APEG521
AHOH619
AHOH637

site_idAD4
Number of Residues2
Detailsbinding site for residue PEG A 513
ChainResidue
AARG176
AGLU185

site_idAD5
Number of Residues4
Detailsbinding site for residue PEG A 514
ChainResidue
AARG259
AALA379
APRO380
AALA381

site_idAD6
Number of Residues6
Detailsbinding site for residue PEG A 515
ChainResidue
AARG339
AHIS340
AGLY366
ATHR367
AHOH630
AHOH731

site_idAD7
Number of Residues6
Detailsbinding site for residue PEG A 516
ChainResidue
AHOH619
AHOH854
ATHR71
AGLU83
AARG86
ATHR87

site_idAD8
Number of Residues2
Detailsbinding site for residue PEG A 517
ChainResidue
AALA165
AASP166

site_idAD9
Number of Residues4
Detailsbinding site for residue PEG A 518
ChainResidue
AGLN137
APRO140
AALA141
AHOH686

site_idAE1
Number of Residues4
Detailsbinding site for residue PEG A 519
ChainResidue
AGLU99
AARG205
AASP227
AARG228

site_idAE2
Number of Residues3
Detailsbinding site for residue PEG A 520
ChainResidue
AGLU270
APRO271
AGLY272

site_idAE3
Number of Residues2
Detailsbinding site for residue PEG A 521
ChainResidue
APEG512
AHOH761

site_idAE4
Number of Residues2
Detailsbinding site for residue PEG A 522
ChainResidue
APRO181
AGLY182

site_idAE5
Number of Residues5
Detailsbinding site for residue PO4 A 523
ChainResidue
ASER68
AARG70
APHE82
AVAL90
ADIF502

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGfGIHQCLG
ChainResidueDetails
APHE344-GLY353

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsBinding site: {"description":"axial binding residue","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

247536

PDB entries from 2026-01-14

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