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4KTK

Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl)benzene-1,3-diol

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 Residues23
DetailsBINDING SITE FOR RESIDUE HEM A 401
ChainResidue
AMET62
AARG286
AALA337
APHE338
AGLY339
AHIS343
ACYS345
APRO346
ASO4402
AHOH507
AHOH508
AMET86
AHOH524
AHOH525
AHOH589
AHOH638
AHIS146
APHE230
AGLY234
ASER237
APHE241
APHE280
ALEU284

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AARG386
AHEM401
AKTK404
AHOH510
AHOH524

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AARG58
ASER61
AMET62
ALYS63
AHIS343
AHOH702
AHOH829

site_idAC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE KTK A 404
ChainResidue
ATHR77
AVAL78
AASN85
AALA167
APHE168
ATRP182
AVAL228
AGLN385
ASO4402
AHOH501
AHOH503
AHOH505
AHOH507

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE KTK A 405
ChainResidue
AGLU8
AARG35
AGLU64
AALA67
AALA68
APRO71
ALEU287
ATHR289
ALYS301
AGLY302
AHOH699
AHOH807
AHOH887
AHOH927

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

221051

PDB entries from 2024-06-12

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