Structure of PDB 7p1v Chain A Binding Site BS01

Receptor Information
>7p1v Chain A (length=384) Species: 5551 (Trichophyton rubrum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDPAGKAAQYHKEYALFRSANMPSPDKLATGVGFHSFRIPAVVRTNTGRI
LAFAEGRRHNNRDYGDINLVYKRTKSPTNNGENPTDWESLREVVGTGPHT
WGNPTPVVDGNTIYLFLSMNDGAYSQNGGNTLPDGTKTKKIDSTWVGRRH
LYLTTSTDDGDTWTKPVDMTKTLTPDGQAWDAVGPGNGIKLSTGELVIPA
QGRNIIGRGPSGNRTWSMQILKGAGSEGTICQTPDGKLMRNDRPGPMGHR
SVARGTLAGLGPFATDNGLPDPACQGSILSYNSDEPARTIFMNSASTDRR
TAMRVRISYDKDAAKFNFGRELKDAPLGNVGNEGGYSSMTKTSDYKIGAL
VESDWYEDKGGEKSHRCIIWRRFNLSWIINGPNN
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 chain7p1v Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p1v Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		D90 I91 N92 G119 G121 H123
Binding residue
(residue number reindexed from 1)		D66 I67 N68 G95 G97 H99
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity

View graph for
Molecular Function
External links
PDB RCSB:7p1v, PDBe:7p1v, PDBj:7p1v
PDBsum7p1v
PubMed34724608
UniProtA0A178EUH2

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