Structure of PDB 5fys Chain A Binding Site BS04

Receptor Information
>5fys Chain A (length=453) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPP
FACDVDKLHFTPRIQRLNELEAQTRVKDYTLRTFGEMADAFKSDYFNMPV
HMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDIKLSPE
EEEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWHI
EDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLH
QLVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEAV
NFCTVDWLPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVAST
VQKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTCF
MSAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALKL
RAE
Ligand information
Ligand ID2HG
InChIInChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyHWXBTNAVRSUOJR-GSVOUGTGSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[CH](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CCC(O)C(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@H](C(=O)O)O
CACTVS 3.370O[C@H](CCC(O)=O)C(O)=O
FormulaC5 H8 O5
Name(2R)-2-hydroxypentanedioic acid
ChEMBLCHEMBL1614745
DrugBank
ZINCZINC000000402968
PDB chain5fys Chain A Residue 1773 [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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PDB5fys Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with D-2-Hydroxyglutarate
Resolution1.89 Å
Binding residue
(original residue number in PDB)		Y488 F496 H499 S507 N509 W519 H587
Binding residue
(residue number reindexed from 1)		Y188 F196 H199 S207 N209 W219 H287
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) G481 Y488 H499 E501 H587 A599
Catalytic site (residue number reindexed from 1) G181 Y188 H199 E201 H287 A299
Enzyme Commision number 1.14.11.67: [histone H3]-trimethyl-L-lysine(4) demethylase.
External links
PDB RCSB:5fys, PDBe:5fys, PDBj:5fys
PDBsum5fys
PubMed
UniProtQ9UGL1|KDM5B_HUMAN Lysine-specific demethylase 5B (Gene Name=KDM5B)

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