Structure of PDB 4z6o Chain C Binding Site BS02

Receptor Information
>4z6o Chain C (length=356) Species: 47914 (Brevibacterium fuscum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIPKPVAPAPDILRCAYAELVVTDLAKSRNFYVDVLGLHVSYEDENQIYL
RSFEEFIHHNLVLTKGPVAALKAMAFRVRTPEDVDKAEAYYQELGCRTER
RKDGFVKGIGDALRVEDPLGFPYEFFFETTHVERLHMRYDLYSAGELVRL
DHFNQVTPDVPRGRKYLEDLGFRVTEDIQDDEGTTYAAWMHRKGTVEDTA
LTGGNGPRLHHVAFSTHEKHNIIQICDKMGALRISDRIERGPGRHGVSNA
FYLYILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVPS
WYTEASKVLDLDGNVQEIIERTDDSELEVTIGADGFSFTRAGDEDGSYHG
QASKGF
Ligand information
Ligand IDDHY
InChIInChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKeyCFFZDZCDUFSOFZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(=O)O)O)O
CACTVS 3.341OC(=O)Cc1ccc(O)c(O)c1
ACDLabs 10.04O=C(O)Cc1cc(O)c(O)cc1
FormulaC8 H8 O4
Name2-(3,4-DIHYDROXYPHENYL)ACETIC ACID
ChEMBLCHEMBL1284
DrugBankDB01702
ZINCZINC000000388555
PDB chain4z6o Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4z6o Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		H155 W192 E200 H214 R243 H248 Y257 E267 R293
Binding residue
(residue number reindexed from 1)		H152 W189 E197 H211 R240 H245 Y254 E264 R290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 E200 H214 H248 Y257 E267
Catalytic site (residue number reindexed from 1) H152 E197 H211 H245 Y254 E264
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:4z6o, PDBe:4z6o, PDBj:4z6o
PDBsum4z6o
PubMed26267790
UniProtQ45135

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