Structure of PDB 7pd5 Chain A Binding Site BS01

Receptor Information
>7pd5 Chain A (length=303) Species: 1122247 (Mycolicibacterium hassiacum DSM 44199) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLVPDLTATDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNE
EETVGGVVETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVA
LPEVAPQPGKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLL
SEGVHLVKGFYRRGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTREL
LMSVPFAPGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLAAM
SRQVIATLFSRCGVPDSGVGLTQFFGFSPRTSEVSLVDRPPMNTLRGKLA
AAL
Ligand information
Ligand IDPAB
InChIInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyALYNCZNDIQEVRV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(N)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)N
FormulaC7 H7 N O2
Name4-AMINOBENZOIC ACID
ChEMBLCHEMBL542
DrugBankDB02362
ZINCZINC000000000920
PDB chain7pd5 Chain A Residue 401 [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]
PDB7pd5 Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P47 S78 G110 K111
Binding residue
(residue number reindexed from 1)		P46 S77 G109 K110
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.266: glucosyl-3-phosphoglycerate synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7pd5, PDBe:7pd5, PDBj:7pd5
PDBsum7pd5
PubMed
UniProtK5B7Z4

[Back to BioLiP]