Structure of PDB 1h39 Chain A

Receptor sequence
>1h39A (length=619) Species: 405212 (Alicyclobacillus acidocaldarius) [Search protein sequence]
AYARTLDRAVEYLLSCQKDEGYWWGPLLSNVTMEAEYVLLCHILDRVDRD
RMEKIRRYLLHEQREDGTWALYPGGPPDLDTTIEAYVALKYIGMSRDEEP
MQKALRFIQSQGGIESSRVFTRMWLALVGEYPWEKVPMVPPEIMFLGKRM
PLNIYEFGSWARATVVALSIVMSRQPVFPLPERARVPELYETDVPPRRRG
AKGGGGWIFDALDRALHGYQKLSVHPFRRAAEIRALDWLLERQAGDGSWG
GIQPPWFYALIALKILDMTQHPAFIKGWEGLELYGVELDYGGWMFQASIS
PVWDTGLAVLALRAAGLPADHDRLVKAGEWLLDRQITVPGDWAVKRPNLK
PGGFAFQFDNVYYPDVDDTAVVVWALNTLRLPDERRRRDAMTKGFRWIVG
MQSSNGGWGAYDVDNTSDLPNHIPFCDFGEVTDPPSEDVTAHVLECFGSF
GYDDAWKVIRRAVEYLKREQKPDGSWFGRWGVNYLYGTGAVVSALKAVGI
DTREPYIQKALDWVEQHQNPDGGWGEDCRSYEDPAYAGKGASTPSQTAWA
LMALIAGGRAESEAARRGVQYLVETQRPDGGWDEPYYTGTGFPGDFYLGY
TMYRHVFPTLALGRYKQAI
3D structure
PDB1h39 Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
ChainA
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E45 E93 R127 W169 Q262 W312 F365 D374 D376 D377 Y420 H451 W489 Y495 F601 F605 Y609
Catalytic site (residue number reindexed from 1) E36 E84 R118 W160 Q253 W303 F356 D365 D367 D368 Y411 H442 W480 Y486 F592 F596 Y600
Enzyme Commision number 4.2.1.129: squalene--hopanol cyclase.
5.4.99.17: squalene--hopene cyclase.
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 C8E A E250 R251 E241 R242
BS02 R03 A F129 T173 P263 F365 D374 F601 F605 F120 T164 P254 F356 D365 F592 F596 PDBbind-CN: -logKd/Ki=6.54,IC50=289nM
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0016866 intramolecular transferase activity
GO:0051007 squalene-hopene cyclase activity
Biological Process
GO:0008610 lipid biosynthetic process
GO:0016104 triterpenoid biosynthetic process
Cellular Component
GO:0005811 lipid droplet
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h39, PDBe:1h39, PDBj:1h39
PDBsum1h39
PubMed12747780
UniProtP33247|SQHC_ALIAD Squalene--hopene cyclase (Gene Name=shc)

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