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4KTL

Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-((4-hydroxyphenyl)amino)-1H-pyrazole-4,5-diyl)diphenol

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
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE HEM A 401
ChainResidue
AMET62
AARG286
AALA337
APHE338
AGLY339
AHIS343
ACYS345
APRO346
ASO4402
A1CQ407
AHOH567
AMET86
AHOH569
AHOH616
AHOH632
AHOH657
AHOH674
AHIS146
APHE230
AGLY234
ASER237
ATHR238
APHE280
ALEU284

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AALA233
APHE280
AARG386
AHEM401
A1CQ407
AHOH537
AHOH632
AHOH696

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AARG58
ASER61
AMET62
ALYS63
AHIS343
AHOH623
AHOH757
AHOH814

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
ALYS211
APRO330
AASN331
APRO332
ATHR333
ASER334
AHOH923

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 405
ChainResidue
ALYS159
ALEU160
AARG184
AASP185
ATYR188

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 406
ChainResidue
AARG134
AASN135
AARG381
AGLU390
AARG391
AHOH516
AHOH922

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 1CQ A 407
ChainResidue
ATHR77
AVAL78
AVAL83
AASN85
AALA167
APHE168
ATRP182
AVAL228
ATHR229
AGLN385
AHEM401
ASO4402
AHOH504
AHOH523
AHOH674
AHOH698

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGrGQHFCPG
ChainResidueDetails
APHE338-GLY347

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PDB entries from 2024-06-12

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