Structure of PDB 5wdj Chain E

Receptor sequence
>5wdjE (length=465) Species: 9606 (Homo sapiens) [Search protein sequence]
VNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRN
QINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLP
FDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLAT
ELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPT
YRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLS
RVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMR
IGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLAR
KLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRF
WWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFV
NCSTLPALNLASWRE
3D structure
PDB5wdj Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.
ChainE
Resolution2.4 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.11.2.2: myeloperoxidase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 HEM E E242 M243 T329 R333 G335 H336 I339 L417 R424 E130 M131 T217 R221 G223 H224 I227 L305 R312
BS02 CA E T168 F170 D172 S174 T56 F58 D60 S62
BS03 MAN E F439 K505 F327 K393
BS04 AEY E R239 E242 F366 R127 E130 F254 MOAD: ic50=0.084uM
BindingDB: IC50=110nM
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
Biological Process
GO:0006979 response to oxidative stress

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Molecular Function
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Biological Process
External links
PDB RCSB:5wdj, PDBe:5wdj, PDBj:5wdj
PDBsum5wdj
PubMed30108726
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

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