Structure of PDB 4zxa Chain X Binding Site BS01

Receptor Information
>4zxa Chain X (length=324) Species: 165468 (Pseudomonas sp. WBC-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDVQASPPHAVTGYRSFQLGAFELSRDEYFARITWPAKGETRSHLIPADI
FLRAMMRDVAWGFFYGWVNFDHVIGTRNYYGKVDLYAGTFNGTLKAAGVN
YTENFETPLIMATFKAILRDWTNATFDPFAAPEETGSAFGRKNGENLECI
ERFRIATKRMPGLQDDSPLRNDLPVNRQFADVSQDEPEVHAAEGFEGELH
AFSLFKYLSRSDVTWNPSVTSVCKASLFCPTTEEFILPVFHGNDRVEWFI
QMSDEIVWDVGDKDDGNPRARITMRAGDVCAMPADIRHQGYSTKRSMLMV
WENATPNLPHLYESGELKPYPIEF
Ligand information
Ligand IDH8N
InChIInChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKeyCVNOWLNNPYYEOH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N#Cc1ccc(cc1)O
CACTVS 3.385Oc1ccc(cc1)C#N
OpenEye OEToolkits 1.9.2c1cc(ccc1C#N)O
FormulaC7 H5 N O
Name4-hydroxybenzonitrile
ChEMBLCHEMBL66381
DrugBank
ZINCZINC000000388759
PDB chain4zxa Chain X Residue 402 [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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PDB4zxa Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
Resolution2.488 Å
Binding residue
(original residue number in PDB)		W76 W230 P232 E248 L252 H256 E262 H303
Binding residue
(residue number reindexed from 1)		W61 W215 P217 E233 L237 H241 E247 H288
Annotation score1
Enzymatic activity
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:4zxa, PDBe:4zxa, PDBj:4zxa
PDBsum4zxa
PubMed26304122
UniProtC1I209

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