Structure of PDB 1sk8 Chain A Binding Site BS01

Receptor Information
>1sk8 Chain A (length=435) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CDTVDLGYQCSPATSHLWGQYSPFFSLEDELSVSSKLPKDCRITLVQVLS
RHGARYPTSSKSKKYKKLVTAIQANATDFKGKFAFLKTYNYTLGADDLTP
FGEQQLVNSGIKFYQRYKALARSVVPFIRASGSDRVIASGEKFIEGFQQA
KLADPGATNRAAPAISVIIPESETFNNTLDHGVCTKFEASQLGDEVAANF
TALFAPDIRARAEKHLPGVTLTDEDVVSLMDMCSFDTVARTSDASQLSPF
CQLFTHNEWKKYNYLQSLGKYYGYGAGNPLGPAQGIGFTNELIARLTRSP
VQDHTSTNSTLVSNPATFPLNATMYVDFSHDNSMVSIFFALGLYNGTEPL
SRTSVESAKELDGYSASWVVPFGARAYFETMQCKSEKEPLVRALINDRVV
PLHGCDVDKLGRCKLNDFVKGLSWARSGGNWGECF
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1sk8 Chain A Residue 501 [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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PDB1sk8 Crystallographic Snapshots of Aspergillus fumigatus Phytase, Revealing Its Enzymatic Dynamics
Resolution1.65 Å
Binding residue
(original residue number in PDB)		R58 H59 R62 R142 H338 D339
Binding residue
(residue number reindexed from 1)		R51 H52 R55 R135 H330 D331
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.-
3.1.3.8: 3-phytase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0016158 3-phytase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1sk8, PDBe:1sk8, PDBj:1sk8
PDBsum1sk8
PubMed15341723
UniProtO00092|PHYA_ASPFU Phytase A (Gene Name=phyA)

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