Structure of PDB 5agv Chain B Binding Site BS03

Receptor Information
>5agv Chain B (length=393) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTDLTFRLLRESFADAVSWVAKNLPARPAVPVLSGVLLTGSDNGLTISGF
DYEVSAEAQVGAEIVSPGSVLVSGRLLSDITRALPNKPVDVHVEGNRVAL
TCGNARFSLPTMPVEDYPTLPTLPEETGLLPAELFAEAISQVAIAAGRDD
TLPMLTGIRVEILGETVVLAATDRFRLAVRELKWSASSPDIEAAVLVPAK
TLAEAAKAGIGGSDVRLSLGTGPGVGKDGLLGISGNGKRSTTRLLDAEFP
KFRQLLPTEHTAVATMDVAELIEAIKLVALVADRGAQVRMEFADGSVRLS
AGADDVGRAEEDLVVDYAGEPLTIAFNPTYLTDGLSSLRSERVSFGFTTA
GKPALLRPVSGDDRPVAGLNGNGPFPAVSTDYVYLLMPVRLPG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5agv Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5agv Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		N379 G380
Binding residue
(residue number reindexed from 1)		N370 G371
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0008408 3'-5' exonuclease activity
GO:0042802 identical protein binding
Biological Process
GO:0006260 DNA replication
GO:0006271 DNA strand elongation involved in DNA replication
GO:0046677 response to antibiotic
GO:0071897 DNA biosynthetic process
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0009274 peptidoglycan-based cell wall
GO:0009360 DNA polymerase III complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5agv, PDBe:5agv, PDBj:5agv
PDBsum5agv
PubMed26045430
UniProtP9WNU1|DPO3B_MYCTU Beta sliding clamp (Gene Name=dnaN)

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