Structure of PDB 6wyz Chain C Binding Site BS01

Receptor Information
>6wyz Chain C (length=314) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLANVVILATGGTIAGGVDKLIAGVPELADIANVRGEQVMQIASESISND
DLLKLGKRVAELAESKDVDGIVITHGTDTLEETAFFLNLVEKTDKPIVVV
GSMRPGTAMSADGMLNLYNAVAVASDKQSRGKGVLVTMNDEIQSGRDVSM
AVNIKTEAFKSAWGPMGMVVEGKSYWFRLPAKRHTVNSEFDIKQISSLPQ
VDIAYGYGNVTDTAYKALAQNGAKALIHAGTGNGSVSSRVVPALQELRKN
GVQIIRSSHVNQGGFVLRNAEQPDDKNDWVVAHDLNPQKARILAMVAMTK
TQDSKELQRIFWEY
Ligand information
Ligand IDDGL
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
CACTVS 3.370N[C@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameD-GLUTAMIC ACID
ChEMBLCHEMBL76232
DrugBankDB02517
ZINCZINC000000895124
PDB chain6wyz Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wyz Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T20 S67 E68 G99 T100 D101 S125
Binding residue
(residue number reindexed from 1)		T13 S44 E45 G76 T77 D78 S102
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T20 T100 D101 M173 E294
Catalytic site (residue number reindexed from 1) T13 T77 D78 M150 E271
Enzyme Commision number 3.5.1.38: glutamin-(asparagin-)ase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0004359 glutaminase activity
GO:0016787 hydrolase activity
GO:0050417 glutamin-(asparagin-)ase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006528 asparagine metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wyz, PDBe:6wyz, PDBj:6wyz
PDBsum6wyz
PubMed
UniProtQ88K39|ASPQ_PSEPK Glutaminase-asparaginase (Gene Name=ansB)

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