Structure of PDB 1vrq Chain B Binding Site BS03

Receptor Information
>1vrq Chain B (length=402) Species: 31944 (Corynebacterium sp. U-96) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLLPEHPEFLWNNPEPKKSYDVVIVGGGGHGLATAYYLAKNHGITNVAV
LEKGWLAGGNMARNTTIIRSNYLWDESAGIYEKSLKLWEELPEELEYDFL
FSQRGVLNLAHTLGDVRESIRRVEANKFNGVDAEWLTPEQVKEVCPIINT
GDNIRYPVMGATYQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFL
KDGEKVTGVKTTRGTILAGKVALAGAGHSSVLAELAGFELPIQSHPLQAL
VSELFEPVHPTVVMSNHIHVYVSQAHKGELVMGAGIDSYNGYGQRGAFHV
IEEQMAAAVELFPIFARAHVLRTWGGIVDTTMDASPIISKTPIQNLYVNC
GWGTGGFKGTPGAGYTLAHTIAHDEPHKLNAPFALERFETGHLIDEHGAA
AV
Ligand information
Ligand IDDMG
InChIInChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
InChIKeyFFDGPVCHZBVARC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(C)C
OpenEye OEToolkits 1.5.0CN(C)CC(=O)O
CACTVS 3.341CN(C)CC(O)=O
FormulaC4 H9 N O2
NameN,N-DIMETHYLGLYCINE;
DIMETHYLGLYCINE
ChEMBLCHEMBL1232274
DrugBankDB02083
ZINCZINC000000895466
PDB chain1vrq Chain B Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vrq Crystal structure of heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T65 I67 R69 K358 A401
Binding residue
(residue number reindexed from 1)		T65 I67 R69 K358 A401
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A62 T65 T66 G326 K358
Catalytic site (residue number reindexed from 1) A62 T65 T66 G326 K358
Enzyme Commision number 1.5.3.24: sarcosine oxidase (5,10-methylenetetrahydrofolate-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008115 sarcosine oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0046653 tetrahydrofolate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vrq, PDBe:1vrq, PDBj:1vrq
PDBsum1vrq
PubMed15946648
UniProtQ50LF2|TSOXB_CORS9 Sarcosine oxidase subunit beta (Gene Name=soxB)

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