Structure of PDB 4qvb Chain A Binding Site BS02

Receptor Information
>4qvb Chain A (length=141) Species: 1138877 (Mycobacterium tuberculosis 7199-99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVFDDKLLAVISGNSIGVLATIKHDGRPQLSNVQYHFDPRKLLIQVSIAE
PRAKTRNLRRDPRASILVDADDGWSYAVAEGTAQLTPPAAAPDDDTVEAL
IALYRNIAGEHSDWDDYRQAMVTDRRVLLTLPISHVYGLPP
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain4qvb Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qvb Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D97 D98
Binding residue
(residue number reindexed from 1)		D94 D95
Annotation score1
Enzymatic activity
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
GO:0070402 NADPH binding
GO:0070967 coenzyme F420 binding
GO:0071949 FAD binding
Biological Process
GO:0042816 vitamin B6 metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4qvb, PDBe:4qvb, PDBj:4qvb
PDBsum4qvb
PubMed25644473
UniProtO06553|F420R_MYCTU F420H(2)-dependent reductase Rv1155 (Gene Name=Rv1155)

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