Structure of PDB 4nui Chain A Binding Site BS01

Receptor Information
>4nui Chain A (length=193) Species: 51031 (Necator americanus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAGCPDNGMSEEARQKFLEMHNSLRSSVALGQAKDGAGGNAPKAAKMKTM
AYDCEVEKTAMNNAKQCVFKHSQPNQRKGLGENIFMSSDSGMDKAKAAEQ
ASKAWFGELAEKGVGQNLKLTGGLFSRGVGHYTQMVWQETVKLGCYVEAC
SNMCYVVCQYGPAGNMMGKDIYEKGEPCSKCENCDKEKGLCSA
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain4nui Chain A Residue 300 [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]
PDB4nui Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H88 H148
Binding residue
(residue number reindexed from 1)		H71 H131
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:4nui, PDBe:4nui, PDBj:4nui
PDBsum4nui
PubMed24631931
UniProtJ9ULM6

[Back to BioLiP]