Structure of PDB 5dxi Chain A Binding Site BS04

Receptor Information
>5dxi Chain A (length=290) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAYTPALNRPLLLNNYKESQRRLFLFDYDGTLTPIVQDPAAAIPSDKLN
RILDVLSSDPKNQIWIISGRDQAFLEKWMGNKNVGLSAEHGCFMKDIGSK
EWVNLAASFDMSWQEKVDDIFKYYTEKTPGSNIERKKVALTWHYRRADPD
LGNFQAEKCMKELNDTVAKEYDVEVMAGKANIEVRPKFVNKGEIVKRLVL
HPHGAKQEPIEELPDFMLCLGDDLTDEDMFNSLNEINKKWKGDNRPTNKF
GSYGVYPVAVGPASKKTVAIAHLNEPRQVLETLGLLAGLV
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 chain5dxi Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dxi Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D25 Y26 D27 S65 K188
Binding residue
(residue number reindexed from 1)		D28 Y29 D30 S68 K191
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
Biological Process
GO:0005992 trehalose biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5dxi, PDBe:5dxi, PDBj:5dxi
PDBsum5dxi
PubMed27307435
UniProtQ5AI14

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