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3NA0

Crystal structure of human CYP11A1 in complex with 20,22-dihydroxycholesterol

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005515molecular_functionprotein binding
A0005739cellular_componentmitochondrion
A0005743cellular_componentmitochondrial inner membrane
A0005759cellular_componentmitochondrial matrix
A0006694biological_processsteroid biosynthetic process
A0006700biological_processC21-steroid hormone biosynthetic process
A0006704biological_processglucocorticoid biosynthetic process
A0008203biological_processcholesterol metabolic process
A0008207biological_processC21-steroid hormone metabolic process
A0008386molecular_functioncholesterol monooxygenase (side-chain-cleaving) activity
A0008395molecular_functionsteroid hydroxylase activity
A0016125biological_processsterol metabolic process
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0020037molecular_functionheme binding
A0034650biological_processcortisol metabolic process
A0042359biological_processvitamin D metabolic process
A0042446biological_processhormone biosynthetic process
A0046872molecular_functionmetal ion binding
A0071375biological_processcellular response to peptide hormone stimulus
A1901615biological_processorganic hydroxy compound metabolic process
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0005515molecular_functionprotein binding
B0005739cellular_componentmitochondrion
B0005743cellular_componentmitochondrial inner membrane
B0005759cellular_componentmitochondrial matrix
B0006694biological_processsteroid biosynthetic process
B0006700biological_processC21-steroid hormone biosynthetic process
B0006704biological_processglucocorticoid biosynthetic process
B0008203biological_processcholesterol metabolic process
B0008207biological_processC21-steroid hormone metabolic process
B0008386molecular_functioncholesterol monooxygenase (side-chain-cleaving) activity
B0008395molecular_functionsteroid hydroxylase activity
B0016125biological_processsterol metabolic process
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0020037molecular_functionheme binding
B0034650biological_processcortisol metabolic process
B0042359biological_processvitamin D metabolic process
B0042446biological_processhormone biosynthetic process
B0046872molecular_functionmetal ion binding
B0071375biological_processcellular response to peptide hormone stimulus
B1901615biological_processorganic hydroxy compound metabolic process
C0051536molecular_functioniron-sulfur cluster binding
C0051537molecular_function2 iron, 2 sulfur cluster binding
C0140647biological_processP450-containing electron transport chain
D0051536molecular_functioniron-sulfur cluster binding
D0051537molecular_function2 iron, 2 sulfur cluster binding
D0140647biological_processP450-containing electron transport chain
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEM A 601
ChainResidue
AHOH24
ALEU385
AILE390
ASER391
ALEU394
AARG396
AGLY454
APHE455
AGLY456
ATRP457
AARG460
AARG120
AGLN461
ACYS462
AGLY464
A2DC602
ATRP147
AARG151
AMET323
AGLY326
AGLY327
ATHR330
ATHR334

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 2DC A 602
ChainResidue
AHOH42
ALEU140
AMET240
AGLY326
ASER391
AGLN395
ALEU499
AILE500
AHOH599
AHEM601

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEM B 601
ChainResidue
BHOH27
BARG120
BVAL139
BTRP147
BARG151
BMET323
BGLY326
BGLY327
BTHR330
BTHR334
BLEU385
BSER391
BARG396
BGLY454
BPHE455
BGLY456
BTRP457
BARG460
BGLN461
BCYS462
BGLY464
B2DC602

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 2DC B 602
ChainResidue
BPHE121
BGLY326
BSER391
BGLN395
BILE500
BHOH536
BHOH584
BHEM601

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FES C 150
ChainResidue
CGLY44
CCYS46
CGLY48
CCYS52
CCYS55
CLEU90
CCYS92

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FES D 150
ChainResidue
DGLY44
DCYS46
DGLY48
DALA51
DCYS52
DCYS55
DCYS92

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGwGVRQCLG
ChainResidueDetails
APHE455-GLY464

site_idPS00814
Number of Residues11
DetailsADX Adrenodoxin family, iron-sulfur binding region signature. CegTlACSTCH
ChainResidueDetails
CCYS46-HIS56

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING:
ChainResidueDetails
CCYS46
CCYS52
CCYS55
CCYS92
DCYS46
DCYS52
DCYS55
DCYS92

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PDB entries from 2024-07-17

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