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4KTF

Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(3-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 Residues21
DetailsBINDING SITE FOR RESIDUE HEM A 401
ChainResidue
AMET62
APHE338
AGLY339
AHIS343
ACYS345
APRO346
ASO4402
AHOH501
AHOH502
AHOH505
AHOH506
AMET86
AHOH595
AHOH648
AHIS146
AGLY234
ASER237
APHE280
ALEU284
AARG286
AALA337

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
AARG386
AHEM401
A1TM406
AHOH501

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
ASER12
AHOH750
AHOH817
AHOH827
AHOH861
AHOH1042

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG58
ASER61
AMET62
ALYS63
AHIS343
AHOH696
AHOH766
AHOH976

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 405
ChainResidue
ASER219
AARG252
ASER324
AILE325
AHOH718
AHOH796
AHOH802
AHOH1003

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 1TM A 406
ChainResidue
ATHR77
AVAL78
AASN85
AALA167
APHE168
ATRP182
AVAL228
AGLN385
ASO4402
AHOH505
AHOH512
AHOH519
AHOH521

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 2024-10-16

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