Structure of PDB 3rv9 Chain D

Receptor sequence
>3rv9D (length=425) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
ASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAM
VELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFE
FGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDR
LLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVE
VPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVV
ITEPLAGTAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAV
IDFMTVREQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAI
FRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIE
ESEPEREFEETCEKLSTLTPYLVAR
3D structure
PDB3rv9 Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
ChainD
Resolution2.14 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) K205 E252 A269 E297 H334 T361 Y385 R405 G421 E434 K438
Catalytic site (residue number reindexed from 1) K192 E239 A256 E277 H310 T337 Y361 R381 G397 E410 K414
Enzyme Commision number 4.2.99.21: isochorismate lyase.
5.4.4.2: isochorismate synthase.
5.4.99.5: chorismate mutase.
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 RVD D P251 L268 T361 Y385 L404 R405 A418 G419 K438 P238 L255 T337 Y361 L380 R381 A394 G395 K414 MOAD: Ki=12uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004106 chorismate mutase activity
GO:0008909 isochorismate synthase activity
GO:0016829 lyase activity
GO:0016833 oxo-acid-lyase activity
GO:0016853 isomerase activity
GO:0043904 isochorismate pyruvate lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0009058 biosynthetic process
GO:0009697 salicylic acid biosynthetic process
GO:0010106 cellular response to iron ion starvation
GO:0019540 catechol-containing siderophore biosynthetic process
GO:0052572 response to host immune response
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3rv9, PDBe:3rv9, PDBj:3rv9
PDBsum3rv9
PubMed22607697
UniProtP9WFX1|MBTI_MYCTU Salicylate synthase (Gene Name=mbtI)

[Back to BioLiP]