Structure of PDB 6azp Chain A Binding Site BS01

Receptor Information
>6azp Chain A (length=577) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPG
VKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFT
PEPAARASFVTGVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSC
PACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVN
QRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMH
TLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLV
LGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRY
QPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVD
EIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQ
LGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIG
TQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNN
IFMSNSYPRDFVNCSTLPALNLASWRE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6azp Chain A Residue 806 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6azp A structurally dynamic N-terminal region drives function of the staphylococcal peroxidase inhibitor (SPIN).
Resolution2.291 Å
Binding residue
(original residue number in PDB)		D262 T334 F336 D338 S340
Binding residue
(residue number reindexed from 1)		D96 T168 F170 D172 S174
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.2.2: myeloperoxidase.
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:6azp, PDBe:6azp, PDBj:6azp
PDBsum6azp
PubMed29306874
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

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