Structure of PDB 4lxo Chain A Binding Site BS02

Receptor Information
>4lxo Chain A (length=184) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDSPTGIDFSDITANSFTVHWIAPRATITGYRIRHHPEHFSGRPREDRV
PHSRNSITLTNLTPGTEYVVSIVALNGREESPPLIGQQSTVSDVPRDLEV
VAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATIS
GLKPGVDYTITVYACRARGDNPDCSKPISINYRT
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 chain4lxo Chain B Residue 1601 [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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PDB4lxo Design, Structure Determination, and Biological Evaluation of Potent Integrin Alpha5beta1-Specific Antagonist Using the Ninth and Tenth Module of Fibronectin Type III Domain
Resolution1.42 Å
Binding residue
(original residue number in PDB)		W1437 D1438
Binding residue
(residue number reindexed from 1)		W112 D113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4lxo, PDBe:4lxo, PDBj:4lxo
PDBsum4lxo
PubMed
UniProtP02751|FINC_HUMAN Fibronectin (Gene Name=FN1)

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