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6IQ5

Crystal Structure of CYP1B1 and Inhibitor Having Azide Group

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0020037molecular_functionheme binding
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0020037molecular_functionheme binding
Functional Information from PDB Data
site_idAC1
Number of Residues23
Detailsbinding site for residue HEM A 901
ChainResidue
AARG117
ALEU335
APHE394
AVAL395
ATHR398
AILE399
AHIS401
AGLN424
AILE462
APHE463
ASER464
AALA133
AARG468
ACYS470
AGLY472
ASER476
ATRP141
AARG145
AMET152
AILE327
AALA330
ASER331
ATHR334

site_idAC2
Number of Residues13
Detailsbinding site for residue AQ0 A 902
ChainResidue
AVAL126
AASN228
APHE231
ALEU264
APHE268
AASP326
AGLY329
AALA330
ATHR334
AVAL395
AILE399
ALEU509
ATHR510

site_idAC3
Number of Residues21
Detailsbinding site for residue HEM B 900
ChainResidue
BARG117
BMET132
BALA133
BARG145
BILE327
BALA330
BSER331
BTHR334
BPHE394
BVAL395
BTHR398
BILE399
BHIS401
BILE462
BPHE463
BSER464
BARG468
BCYS470
BILE471
BGLY472
BSER476

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FSvGKRRCIG
ChainResidueDetails
APHE463-GLY472

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBinding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"21147782","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3PM0","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsSite: {"description":"Major determinant of CYP1B1 17beta-estradiol hydroxylation regiospecificity"}
ChainResidueDetails

248335

PDB entries from 2026-01-28

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