Structure of PDB 5fzd Chain A Binding Site BS04

Receptor Information
>5fzd Chain A (length=452) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPP
FACDVDKLHFTPRIQRLNELEAQTRVDYTLRTFGEMADAFKSDYFNMPVH
MVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDIKLSPEE
EEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWHIE
DHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLHQ
LVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEAVN
FCTVDWLPLGRQCVEHYRLLHRYCVFSHDEMICKMASKADVLDVVVASTV
QKDMAIMIEDEKALRETVRKLGVIDSERMDFELLPDDERQCVKCKTTCFM
SAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYTLDDLYPMMNALKLR
AE
Ligand information
Ligand IDS2G
InChIInChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyHWXBTNAVRSUOJR-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)O
CACTVS 3.370O[CH](CCC(O)=O)C(O)=O
CACTVS 3.370O[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(O)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)O
FormulaC5 H8 O5
Name(2S)-2-HYDROXYPENTANEDIOIC ACID
ChEMBLCHEMBL1615211
DrugBank
ZINCZINC000000402967
PDB chain5fzd Chain A Residue 1771 [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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PDB5fzd Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with L-2-Hydroxyglutarate
Resolution2.05 Å
Binding residue
(original residue number in PDB)		F496 H499 S507 N509 K517 W519 H587
Binding residue
(residue number reindexed from 1)		F195 H198 S206 N208 K216 W218 H286
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) G481 Y488 H499 E501 H587 A599
Catalytic site (residue number reindexed from 1) G180 Y187 H198 E200 H286 A298
Enzyme Commision number 1.14.11.67: [histone H3]-trimethyl-L-lysine(4) demethylase.
External links
PDB RCSB:5fzd, PDBe:5fzd, PDBj:5fzd
PDBsum5fzd
PubMed
UniProtQ9UGL1|KDM5B_HUMAN Lysine-specific demethylase 5B (Gene Name=KDM5B)

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