Structure of PDB 4z6p Chain C Binding Site BS02

Receptor Information
>4z6p Chain C (length=357) Species: 47914 (Brevibacterium fuscum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEIPKPVAPAPDILRCAYAELVVTDLAKSRNFYVDVLGLHVSYEDENQIY
LRSFEEFIHHNLVLTKGPVAALKAMAFRVRTPEDVDKAEAYYQELGCRTE
RRKDGFVKGIGDALRVEDPLGFPYEFFFETTHVERLHMRYDLYSAGELVR
LDHFNQVTPDVPRGRKYLEDLGFRVTEDIQDDEGTTYAAWMHRKGTVQDT
ALTGGNGPRLHHVAFSTHEKHNIIQICDKMGALRISDRIERGPGRHGVSN
AFYLYILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVP
SWYTEASKVLDLDGNVQEIIERTDDSELEVTIGADGFSFTRAGDEDGSYH
GQASKGF
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 chain4z6p 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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PDB4z6p Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H155 W192 Q200 H214 R243 H248 Y257 E267 R293
Binding residue
(residue number reindexed from 1)		H153 W190 Q198 H212 R241 H246 Y255 E265 R291
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 Q200 H214 H248 Y257 E267
Catalytic site (residue number reindexed from 1) H153 Q198 H212 H246 Y255 E265
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:4z6p, PDBe:4z6p, PDBj:4z6p
PDBsum4z6p
PubMed26267790
UniProtQ45135

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