Structure of PDB 5vbu Chain A

Receptor sequence
>5vbuA (length=442) Species: 9606 (Homo sapiens) [Search protein sequence]
KLPPLAPGFLHLLQPDLPIYLLGLTQKFGPIYRLHLGLQDVVVLNSKRTI
EEAMVKKWADFAGRPEPLTYKLVSRNYPDLSLGDYSLLWKAHKKLTRSAL
LLGIRDSMEPVVEQLTQEFCERMRAQPGTPVAIEEEFSLLTCSIICYLTF
GDKIKDDNLMPAYYKCIQEVLKTWSHWSIQIVDVIPFLRFFPNPGLRRLK
QAIEKRDHIVEMQLRQHKESLVAGQWRDMMDYMLQGVAGQLLEGHVHMAA
VDLLIGGTETTANTLSWAVVFLLHHPEIQQRLQEELDHESRVPYKDRARL
PLLNATIAEVLRLRPVVPLALPHRTTRPSSISGYDIPEGTVIIPNLQGAH
LDETVWERPHEFWPDRFLEPGKNSRALAFGCGARVCLGEPLARLELFVVL
TRLLQAFTLLPSGDALPSLQPLPHCSVILKMQPFQVRLQPRG
3D structure
PDB5vbu Functional analysis of human cytochrome P450 21A2 variants involved in congenital adrenal hyperplasia.
ChainA
Resolution3.31 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T296 F422 C429
Catalytic site (residue number reindexed from 1) T260 F379 C386
Enzyme Commision number 1.14.14.16: steroid 21-monooxygenase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 HEM A R92 S109 K121 G292 G293 T296 V360 H366 A421 F422 R427 C429 L430 G431 R64 S81 K93 G256 G257 T260 V317 H323 A378 F379 R384 C386 L387 G388
BS02 3QZ A V101 S109 V198 W202 R234 D288 G292 L364 V73 S81 V170 W174 R206 D252 G256 L321
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0004509 steroid 21-monooxygenase activity
GO:0005496 steroid binding
GO:0005506 iron ion binding
GO:0008395 steroid hydroxylase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0103069 17-hydroxyprogesterone 21-hydroxylase activity
GO:0106309 progesterone 21-hydroxylase activity
Biological Process
GO:0006694 steroid biosynthetic process
GO:0006704 glucocorticoid biosynthetic process
GO:0006705 mineralocorticoid biosynthetic process
GO:0008202 steroid metabolic process
GO:0016125 sterol metabolic process
GO:0042445 hormone metabolic process
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5vbu, PDBe:5vbu, PDBj:5vbu
PDBsum5vbu
PubMed28539365
UniProtP08686|CP21A_HUMAN Steroid 21-hydroxylase (Gene Name=CYP21A2)

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