Structure of PDB 5wtl Chain D Binding Site BS03

Receptor Information
>5wtl Chain D (length=247) Species: 553178 (Capnocytophaga gingivalis ATCC 33624) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DACPEVPGLKEFNGCPDTDGDGIPDKDDACPQVKGPKEFNGCPDTDGDGI
PDKDDACPEVAGPKEFNGCPDTDGDGIPDKDDKCPDVAGPAENGGCPWPD
TDGDGVLDKDDLCPEVAGPASNKGCPEPDEKEQKQLNQYAKTILFDTGKA
TIKFQSAEVLNQIINVLKKYPNSRFRIEGHTDSTGKKAKNMILSQNRADA
VKVYLIQGGIDAGRLESQGFGPEKPIASNKNKKGRELNRRVEINLIK
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 chain5wtl Chain D Residue 502 [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]
PDB5wtl Structure of thrombospondin type 3 repeats in bacterial outer membrane protein A reveals its intra-repeat disulfide bond-dependent calcium-binding capability.
Resolution2.298 Å
Binding residue
(original residue number in PDB)		D225 D227 D229 I231 D236
Binding residue
(residue number reindexed from 1)		D17 D19 D21 I23 D28
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Biological Process
GO:0007155 cell adhesion
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5wtl, PDBe:5wtl, PDBj:5wtl
PDBsum5wtl
PubMed28807152
UniProtC2M2E7

[Back to BioLiP]