Structure of PDB 3brm Chain A Binding Site BS01

Receptor Information
>3brm Chain A (length=290) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPALQLHDWVEYYRPFAANGQSAPALGKNDSQLGICVLEPDGTMIHAGDW
NVSFTMQSISKVISFIAACMSRGIPYVLDRVDVEPKPFNPMINAGALTIA
SILPGESAYEKLEFLYSVMETLIGKRPRIHEEVFRSEWETAHRNRALAYY
LKETNFLEAEVEETLEVYLKQCAMESTTEDIALIGLILAHDGYHPIRHEQ
VIPKDVAKLAKALMLTCGMYNASGKYAAFVGVPAKSGVSGGIMALVPPSQ
PFQSGCGIGIYGPAIDEYGNSLTGGMLLKHMAQEWELSIF
Ligand information
Ligand IDONL
InChIInChI=1S/C6H11NO3/c1-4(8)2-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyKSIJECNNZVKMJG-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)CC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(CCC(N)C(=O)O)C
OpenEye OEToolkits 1.5.0CC(=O)CCC(C(=O)O)N
CACTVS 3.341CC(=O)CC[CH](N)C(O)=O
CACTVS 3.341CC(=O)CC[C@H](N)C(O)=O
FormulaC6 H11 N O3
Name5-OXO-L-NORLEUCINE
ChEMBL
DrugBankDB04296
ZINCZINC000000895890
PDB chain3brm Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3brm Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		Q73 S74 N126 E170 Y201 Y253 G270 V271
Binding residue
(residue number reindexed from 1)		Q57 S58 N93 E137 Y168 Y220 G237 V238
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) S74 K77 Y201 Y253 V271
Catalytic site (residue number reindexed from 1) S58 K61 Y168 Y220 V238
Enzyme Commision number 3.5.1.2: glutaminase.
Gene Ontology
Molecular Function
GO:0004359 glutaminase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006537 glutamate biosynthetic process
GO:0006541 glutamine metabolic process
GO:0006543 glutamine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3brm, PDBe:3brm, PDBj:3brm
PDBsum3brm
PubMed18459799
UniProtO31465|GLSA1_BACSU Glutaminase 1 (Gene Name=glsA1)

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