Structure of PDB 2hrg Chain A Binding Site BS07

Receptor Information
>2hrg Chain A (length=496) Species: 76130 (Coriolopsis trogii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVID
NMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVP
DQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLAD
WYHLAAKVGSPVPTADATLINGLGRSIDTLNADLAVITVTKGKRYRFRLV
SLSCDPNHVFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNAD
QDVGNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTSQTPSTNPLV
ESALTTLEGTAAPGSPAPGGVDLALNMAFGFAGGKFTINGASFTPPTVPV
LLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATAAAPGFPHPFHLHG
HTFAVVRSAGSSTYNYENPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHC
HIDFHLEAGFAVVMAEDIPEVAATNPVPQAWSDLCPTYDALSPDDQ
Ligand information
Ligand ID4MA
InChIInChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyLPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc(cc1)C(=O)O
CACTVS 3.341Cc1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)c1ccc(cc1)C
FormulaC8 H8 O2
Name4-METHYLBENZOIC ACID;
P-METHYLBENZOIC ACID
ChEMBLCHEMBL21708
DrugBank
ZINCZINC000000330134
PDB chain2hrg Chain A Residue 3001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hrg Crystal structure of the blue multicopper oxidase from the white-rot fungus Trametes trogii complexed with p-toluate
Resolution1.58 Å
Binding residue
(original residue number in PDB)		V162 F331 P390 G391 H455
Binding residue
(residue number reindexed from 1)		V162 F331 P390 G391 H455
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H64 H66 H109 H111 H394 H397 H399 H449 C450 H451 I452 H455 F460
Catalytic site (residue number reindexed from 1) H64 H66 H109 H111 H394 H397 H399 H449 C450 H451 I452 H455 F460
Enzyme Commision number 1.10.3.2: laccase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0052716 hydroquinone:oxygen oxidoreductase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2hrg, PDBe:2hrg, PDBj:2hrg
PDBsum2hrg
PubMed
UniProtQ9HDQ0

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