Structure of PDB 1nne Chain B Binding Site BS03

Receptor Information
>1nne Chain B (length=759) Species: 271 (Thermus aquaticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEGMLKGEGPGPLPPLLQQYVELRDQYPDYLLLFQVGDFYECFGEDAERL
ARALGLVLTHKTSKDFTTPMAGIPLRAFEAYAERLLKMGFRLAVADQVEP
LVRREVTQLLTPGTLLQESLLPREANYLAAIATGDGWGLAFLDVSTGEFK
GTVLKSKSALYDELFRHRPAEVLLAPELLENGAFLDEFRKRFPVMLSEAP
FEPEGEGPLALRRARGALLAYAQRTQGGALSLQPFRFYDPGAFMRLPEAT
LRALEVFEPLRGQDTLFSVLDETRTAPGRRLLQSWLRHPLLDRGPLEARL
DRVEGFVREGALREGVRRLLYRLADLERLATRLELGRASPKDLGALRRSL
QILPELRALLGEEVGLPDLSPLKEELEAALVEDPPLKVSEGGLIREGYDP
DLDALRAAHREGVAYFLELEERERERTGIPTLKVGYNAVFGYYLEVTRPY
YERVPKEYRPVQTLKDRQRYTLPEMKEKEREVYRLEALIRRREEEVFLEV
RERAKRQAEALREAARILAELDVYAALAEVAVRYGYVRPRFGDRLQIRAG
RHPVVERRTEFVPNDLEMAHELVLITGPNMAGKSTFLRQTALIALLAQVG
SFVPAEEAHLPLFDGIYTRIGASDDLAGGKSTFMVEMEEVALILKEATEN
SLVLLDEVGRGTSSLDGVAIATAVAEALHERRAYTLFATHYFELTALGLP
RLKNLHVAAREEAGGLVFYHQVLPGPASKSYGVEVAAMAGLPKEVVARAR
ALLQAMAAR
Ligand information
Ligand IDBEF
InChIInChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3
InChIKeyOGIAHMCCNXDTIE-UHFFFAOYSA-K
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[Be-](F)(F)F
ACDLabs 10.04
CACTVS 3.341		F[Be-](F)F
FormulaBe F3
NameBERYLLIUM TRIFLUORIDE ION
ChEMBL
DrugBank
ZINC
PDB chain1nne Chain B Residue 1998 [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]
PDB1nne Crystal structure and biochemical analysis of the MutS-ADP-Beryllium Fluoride complex suggests a conserved mechanism for ATP interactions in mismatch repair
Resolution3.11 Å
Binding residue
(original residue number in PDB)		S1590 D1662
Binding residue
(residue number reindexed from 1)		S584 D656
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0003690 double-stranded DNA binding
GO:0005524 ATP binding
GO:0030983 mismatched DNA binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006281 DNA repair
GO:0006298 mismatch repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1nne, PDBe:1nne, PDBj:1nne
PDBsum1nne
PubMed12582174
UniProtQ56215|MUTS_THEAQ DNA mismatch repair protein MutS (Gene Name=mutS)

[Back to BioLiP]