Structure of PDB 5agv Chain A Binding Site BS02

Receptor Information
>5agv Chain A (length=390) 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
GKPALLRPVSGDDRPLNGNGPFPAVSTDYVYLLMPVRLPG
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain5agv Chain A Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5agv Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		V188 E190 T389 D390 Y391
Binding residue
(residue number reindexed from 1)		V179 E181 T377 D378 Y379
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

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

[Back to BioLiP]