Structure of PDB 2wuf Chain B

Receptor sequence
>2wufB (length=282) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
LTFESTSRFAEVDVDGPLKLHYHEAGVGNDQTVVLLHGGGPGAASWTNFS
RNIAVLARHFHVLAVDQPGYGHSDKRAEHGQFNRYAAMALKGLFDQLGLG
RVPLVGNALGGGTAVRFALDYPARAGRLVLMGPGGLSINLFAPDPTEGVK
RLSKFSVAPTRENLEAFLRVMVYDKNLITPELVDQRFALASTPESLTATR
AMGKSFAGADFEAGMMWREVYRLRQPVLLIWGREDRVNPLDGALVALKTI
PRAQLHVFGQCGHWVQVEKFDEFNKLTIEFLG
3D structure
PDB2wuf Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
ChainB
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G45 G46 G48 N113 A114 L115 R192 D241 H269 W270
Catalytic site (residue number reindexed from 1) G39 G40 G42 N107 A108 L109 R186 D235 H263 W264
Enzyme Commision number 3.7.1.17: 4,5-9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase.
3.7.1.8: 2,6-dioxo-6-phenylhexa-3-enoate hydrolase.
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 KEM B G44 G45 G46 A114 L115 L158 F212 H269 W270 G38 G39 G40 A108 L109 L152 F206 H263 W264 MOAD: Kd=51uM
PDBbind-CN: -logKd/Ki=4.29,Kd=51uM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0018774 2,6-dioxo-6-phenylhexa-3-enoate hydrolase activity
GO:0102296 4,5-9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase activity
Biological Process
GO:0006694 steroid biosynthetic process
GO:0016042 lipid catabolic process
GO:0051701 biological process involved in interaction with host
Cellular Component
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wuf, PDBe:2wuf, PDBj:2wuf
PDBsum2wuf
PubMed19875455
UniProtP9WNH5|HSAD_MYCTU 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase (Gene Name=hsaD)

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