Structure of PDB 6wz4 Chain B Binding Site BS01

Receptor Information
>6wz4 Chain B (length=330) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLANVVILATGGTIAGAGASAANSATYQAAKLGVDKLIAGVPELADIANV
RGEQVMQIASESISNDDLLKLGKRVAELAESKDVDGIVITHGTDTLEETA
FFLNLVEKTDKPIVVVGSMRPGTAMSADGMLNLYNAVAVASDKQSRGKGV
LVTMNDEIQSGRDVSMAVNIKTEAFKSAWGPMGMVVEGKSYWFRLPAKRH
TVNSEFDIKQISSLPQVDIAYGYGNVTDTAYKALAQNGAKALIHAGTGNG
SVSSRVVPALQELRKNGVQIIRSSHVNQGGFVLRNAEQPDDKNDWVVAHD
LNPQKARILAMVAMTKTQDSKELQRIFWEY
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain6wz4 Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wz4 Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		T20 Y34 A66 S67 E68 G99 T100 D101
Binding residue
(residue number reindexed from 1)		T13 Y27 A59 S60 E61 G92 T93 D94
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T20 Y34 T100 D101 M173 E294
Catalytic site (residue number reindexed from 1) T13 Y27 T93 D94 M166 E287
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:6wz4, PDBe:6wz4, PDBj:6wz4
PDBsum6wz4
PubMed
UniProtQ88K39|ASPQ_PSEPK Glutaminase-asparaginase (Gene Name=ansB)

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