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5LI8

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole

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
A0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues20
Detailsbinding site for residue HEM A 501
ChainResidue
ALEU95
APHE356
AGLY357
AHIS361
ACYS363
AGLY365
AALA369
AKKK502
AHOH617
AHOH651
AHOH749
AASN96
AHOH850
AHIS103
AARG107
ATHR257
ATHR258
ALYS303
AARG305
AGLY355

site_idAC2
Number of Residues12
Detailsbinding site for residue KKK A 502
ChainResidue
ATHR13
APRO46
AVAL94
AASN96
APHE246
AALA253
ASER302
AASN399
AARG400
AHEM501
AHOH876
AHOH977

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGqGVHYCLG
ChainResidueDetails
APHE356-GLY365

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsBINDING: axial binding residue => ECO:0000250
ChainResidueDetails
ACYS363

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PDB entries from 2024-07-10

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