Structure of PDB 4alf Chain A Binding Site BS01

Receptor Information
>4alf Chain A (length=581) Species: 205922 (Pseudomonas fluorescens Pf0-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRLLGFDSIPAATTDTISLPKGYKSSVLISWGQPLHKNGPAFDPSGNGTA
AAQEVQFGDNNDGMSLFEFPGEKNRALMAINNEYTNYRYLYPHGGMPQSA
EDVRKALACEGVSVIEVQRKNGQWQFVQGSRYNRRIHGNSPLRISGPAAG
HELMKTSADKHGKKVLGTFQNCANGKTPWGTYLTCEENFTDCFGSSNAQQ
QFDPAQKRYGVSAASREINWHPFDPRFDMAKNPNELNRHGWVVEIDPFDP
QSTPVKRTALGRFKHENAALAETDDGRAVVYMGDDERGEFIYKFVSRDKI
NHRNAKANRDILDHGTLYVARFDAGDGNPDHPKGQGQWIELTHGKNGIDA
SSGFADQAEVLIHARLAASVVGATRMDRPEWIVVSPKDGQVYCTLTNNAK
RGEDGQPVGGPNPREKNVYGQILRWRTDRDDHASKTFAWDLFVVAGNPSV
HAGTPKGGSSNITPQNMFNSPDGLGFDKAGRLWILTDGDSSNAGDFAGMG
NNQMLCADPATGEIRRFMVGPIGCEVTGISFSPDQKTLFVGIQHPGENGG
STFPEHLPNGKPRSSVMAITREDGGIVGAHH
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 chain4alf Chain A Residue 1589 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4alf A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E90 E194 E387
Binding residue
(residue number reindexed from 1)		E83 E187 E380
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.1: alkaline phosphatase.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4alf, PDBe:4alf, PDBj:4alf
PDBsum4alf
PubMed25190793
UniProtQ3K5N8

[Back to BioLiP]