Structure of PDB 6u7a Chain B Binding Site BS01

Receptor Information
>6u7a Chain B (length=423) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDSLSPQELAALHARHQQDYAALQGMKLALDLTRGKPSAEQLDLSNQLL
SLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSL
ELMHDIVAFSMLYGGVDSPRPWIQEQDGIKFLCPVPGYDRHFAITETMGI
EMIPIPMLQDGPDVDLIEELVAVDPAIKGMWTVPVFGNPSGVTYSWETVR
RLVQMRTAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYV
FASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFF
GDADGVRLHMLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFIS
LDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVP
DLRNAVDGLATCALLAATETLLN
Ligand information
Ligand IDKYA
InChIInChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)c1cc(O)c2ccccc2n1
ACDLabs 12.01O=C(O)c1nc2ccccc2c(O)c1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(cc(n2)C(=O)O)O
FormulaC10 H7 N O3
Name4-hydroxyquinoline-2-carboxylic acid;
Kynurenic acid
ChEMBLCHEMBL299155
DrugBankDB11937
ZINCZINC000008584773
PDB chain6u7a Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6u7a Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		G37 Y139 R141 K257 F349
Binding residue
(residue number reindexed from 1)		G36 Y138 R140 K256 F348
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
Gene Ontology
Molecular Function
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6u7a, PDBe:6u7a, PDBj:6u7a
PDBsum6u7a
PubMed32327655
UniProtO69689|ASPAT_MYCTU Aspartate aminotransferase (Gene Name=Rv3722c)

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