Structure of PDB 5phh Chain A Binding Site BS02

Receptor Information
>5phh Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQNPNCNIMIFHPTKEEFNDFDKYIAYMESQGAHRAGLAKIIPPKEWKAR
ETYDNISEILIATPLQQVASGRAGVFTQYHKKKKAMTVGEYRHLANSKKY
QTPPHQNFEDLERKYWKNRIYNSPIYGADISGSLFDENTKQWNLGHLGTI
QDLLEKECGVVIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHLGEPK
TWYVVPPEHGQRLERLARELFPGSSRGCGAFLRHKVALISPTVLKENGIP
FNRITQEAGEFMVTFPYGYHAGFNHGFNCAEAINFATPRWIDYGKMASQC
SCGEARVTFSMDAFVRILQPERYDLWKRGQ
Ligand information
Ligand IDLDP
InChIInChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKeyVYFYYTLLBUKUHU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1CCN)O)O
ACDLabs 10.04Oc1ccc(cc1O)CCN
FormulaC8 H11 N O2
NameL-DOPAMINE;
DOPAMINE
ChEMBLCHEMBL59
DrugBankDB00988
ZINCZINC000000033882
PDB chain5phh Chain A Residue 414 [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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PDB5phh A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Resolution1.604 Å
Binding residue
(original residue number in PDB)		E224 R228 G239 A240 F241 L242
Binding residue
(residue number reindexed from 1)		E214 R218 G229 A230 F231 L232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G174 Y181 H192 E194 H280 A292
Catalytic site (residue number reindexed from 1) G164 Y171 H182 E184 H270 A282
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:5phh, PDBe:5phh, PDBj:5phh
PDBsum5phh
PubMed28436492
UniProtQ6B0I6|KDM4D_HUMAN Lysine-specific demethylase 4D (Gene Name=KDM4D)

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