Structure of PDB 7qy3 Chain A Binding Site BS01

Receptor Information
>7qy3 Chain A (length=257) Species: 1313172 (Ilumatobacter coccineus YM16-304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENRPVALITMATGYVGPALARTMADRGFDLVLHGTAGDGTMVGVEESFDS
QIADLAKRGADVLTISDVDLTTRTGNQSMIERVLERFGRLDSACLVTGLI
VTGKFLDMTCDQWAKVKATNLDMVFHGLQAVLPPMVAAGAGQCVVFTSAT
GGRPDPMVSIYGGTRAGANGIVRAVGLEHARHGVQVNAIGTNYMDFPGFL
KASRADDPERRAMIEAQVPLRRLGTMDELSSVTAGLLDGSNRFQTGQFFD
FSGGWGA
Ligand information
Ligand IDME7
InChIInChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
InChIKeyPUKLCKVOVCZYKF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O
CACTVS 3.370O=C1C=CC(=O)N1CCN2C(=O)C=CC2=O
OpenEye OEToolkits 1.7.0C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O
FormulaC10 H8 N2 O4
Name1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
ChEMBL
DrugBank
ZINCZINC000004203455
PDB chain7qy3 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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PDB7qy3 Biocatalytically active and stable cross-linked enzyme crystals of halohydrin dehalogenase HheG by protein engineering
Resolution2.72 Å
Binding residue
(original residue number in PDB)		C114 D115
Binding residue
(residue number reindexed from 1)		C110 D111
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:7qy3, PDBe:7qy3, PDBj:7qy3
PDBsum7qy3
PubMed
UniProtA0A6C7EF96

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