Structure of PDB 6s6y Chain B Binding Site BS01

Receptor Information
>6s6y Chain B (length=356) Species: 419610 (Methylorubrum extorquens PA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAWVKGGAADVDAAVEAAADLLAASRVPVLAGLSAEVSALRAAYRLAETL
GASLDPVSGPSVYAELGALSAGGAMSTTRAETIGRADVILIVGNRPWDGE
LIAEIAAAAPSRGRAAGAERALLSLGGPQNGAIRHVAYAADAGGLTISLG
HLRAFAKGHLAGEAAFADLAKRLFAAQYGVIVYDPEEVGELGAEMLQGLI
RDLNESTRFFALTLADPFQGRAAVQLSAWTTGQAPRVGFGRHQPEHDSWR
FDSARQIAAGEADAALWLASLPAPRPAWLGSLPTIAIVGEGSQEAAGETA
EVVITVGVPGQSVGGALWNDRRGVIAYAEASDPAETETAAGVLTRIRDRL
IEKGVS
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 chain6s6y Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6s6y Methylofuran is a prosthetic group of the formyltransferase/hydrolase complex and shuttles one-carbon units between two active sites.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		V63 R222
Binding residue
(residue number reindexed from 1)		V62 R221
Annotation score4
External links