Structure of PDB 5jzs Chain B

Receptor sequence
>5jzsB (length=284) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
LTFESTSRFAEVDVDGPLKLHYHEAGVGNDQTVVLLHGGGPGAASWTNFS
RNIAVLARHFHVLAVDQPGYGHSDKRAEHGQFNRYAAMALKGLFDQLGLG
RVPLVGNSLGGGTAVRFALDYPARAGRLVLMGPGGLSINLFAPDPTEGVK
RLSKFSVAPTRENLEAFLRVMVYDKNLITPELVDQRFALASTPESLTATR
AMGKSFAGADFEAGMMWREVYRLRQPVLLIWGREDRVNPLDGALVALKTI
PRAQLHVFGQCGHWVQVEKFDEFNKLTIEFLGGG
3D structure
PDB5jzs Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
ChainB
Resolution2.27 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 S114 L115 R192 D241 H269 W270
Catalytic site (residue number reindexed from 1) G39 G40 G42 N107 S108 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 FGZ B G45 S114 G154 V155 L158 V243 G39 S108 G148 V149 L152 V237 MOAD: ic50=0.54mM
PDBbind-CN: -logKd/Ki=3.27,IC50=0.54mM
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:5jzs, PDBe:5jzs, PDBj:5jzs
PDBsum5jzs
PubMed28380256
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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