Structure of PDB 6wyx Chain C Binding Site BS01

Receptor Information
>6wyx Chain C (length=317) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LANVVILATGGTIAGAAKLGVDKLIAGVPELADIANVRGEQVMQIASESI
SNDDLLKLGKRVAELAESKDVDGIVITHGTDTLEETAFFLNLVEKTDKPI
VVVGSMRPGTAMSADGMLNLYNAVAVASDKQSRGKGVLVTMNDEIQSGRD
VSKAVNIKTEAFKSAWGPMGMVVEGKSYWFRLPAKRHTVNSEFDIKQISS
LPQVDIAYGYGNVTDTAYKALAQNGAKALIHAGTGNGSVSSRVVPALQEL
RKNGVQIIRSSHVNQGGFVLRNAEQPDDKNDWVVAHDLNPQKARILAMVA
MTKTQDSKELQRIFWEY
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 chain6wyx Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wyx Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		T20 A66 S67 E68 G99 T100 D101
Binding residue
(residue number reindexed from 1)		T12 A46 S47 E48 G79 T80 D81
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T20 T100 D101 K173 E294
Catalytic site (residue number reindexed from 1) T12 T80 D81 K153 E274
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:6wyx, PDBe:6wyx, PDBj:6wyx
PDBsum6wyx
PubMed
UniProtQ88K39|ASPQ_PSEPK Glutaminase-asparaginase (Gene Name=ansB)

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