Structure of PDB 3ocy Chain A Binding Site BS01

Receptor Information
>3ocy Chain A (length=247) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEHANMQLQQQAVLGLNWMQDSGEYKALAYQAYNAAKVAFDHAKVAKGKK
KAVVADLDETMLDNSPYAGWQVQNNKPFDGKDWTRWVDARQSRAVPGAVE
FNNYVNSHNGKVFYVTNRKDSTEKSGTIDDMKRLGFNGVEESAFYLKKDK
SAKAARFAEIEKQGYEIVLYVGDNLDDFGNTVYGKLNADRRAFVDQNQGK
FGKTFIMLPNANYGGWEGGLAEGYFKKDTQGQIKARLDAVQAWDGKL
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 chain3ocy Chain A Residue 263 [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]
PDB3ocy Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D64 L65 D66 T124 N125 K161
Binding residue
(residue number reindexed from 1)		D56 L57 D58 T116 N117 K153
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane

View graph for
Cellular Component
External links
PDB RCSB:3ocy, PDBe:3ocy, PDBj:3ocy
PDBsum3ocy
PubMed20934434
UniProtP26093|HEL_HAEIN Lipoprotein E (Gene Name=hel)

[Back to BioLiP]