Structure of PDB 7ero Chain A Binding Site BS01

Receptor Information
>7ero Chain A (length=283) Species: 1701910 (Agrobacterium sp. SUL3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQGFGVHAMMWSLNWDHESARRAIAGAADYGQDFIEIPLVDLPSVDTAHT
RALLEKYGLRAACSLVLPEPAWASVRPEAAVAHLNAALDKAAEMGAEALT
GVTYGGTSERTGFPPTQAEYDNLTRALSQSAGHAKTLGLQFGIEAVNRYE
NHLVNSAEQAVALVERIGADNIFVHLDTFHMNMEEKGIANGIIAAHDYLK
YMHMSESDRGTPGFGNVAWDAVFAALAAIGFKGVLTLESFAAMPEEMAGA
ISTWRPVASGADEVLDKGLAFLRDKASQYRIFG
Ligand information
Ligand IDPSJ
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
InChIKeyBJHIKXHVCXFQLS-PUFIMZNGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O
CACTVS 3.352OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ACDLabs 11.02O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)CO)O)O)O)O
CACTVS 3.352OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameD-psicose
ChEMBLCHEMBL1235460
DrugBankDB15087
ZINCZINC000005132035
PDB chain7ero Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7ero Structural basis and molecular modification of D-allulose 3-epimerase from Agrobacterium sp. SUL3
Resolution2.12 Å
Binding residue
(original residue number in PDB)		S64 E144 E150 H180 H203 R209 E238
Binding residue
(residue number reindexed from 1)		S64 E144 E150 H180 H203 R209 E238
Annotation score4
External links