Structure of PDB 9ckv Chain B Binding Site BS03

Receptor Information
>9ckv Chain B (length=361) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSKDIKKNKNVIQPQQLVLRLRSGEPQTFTLKFKRAEDYPIDLYYLMD
LSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFVEKTVMPYISTTP
AKLRNPCTSEQNCTSPFSYKNVLSLTNKGEVFNELVGKQRISGNLDSPEG
GFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQ
CHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKN
LIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSY
CKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKKDSDSFKIRPLGF
TEEVEVILQYI
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain9ckv Chain B Residue 805 [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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PDB9ckv De Novo Design of Integrin alpha5beta1 Modulating Proteins for Regenerative Medicine
Resolution3.19 Å
Binding residue
(original residue number in PDB)		E169 N224 D226 P228 E229
Binding residue
(residue number reindexed from 1)		E89 N144 D146 P148 E149
Annotation score4
External links
PDB RCSB:9ckv, PDBe:9ckv, PDBj:9ckv
PDBsum9ckv
PubMed
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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