Structure of PDB 6s6y Chain B Binding Site BS02

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 IDDGL
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
CACTVS 3.370N[C@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameD-GLUTAMIC ACID
ChEMBLCHEMBL76232
DrugBankDB02517
ZINCZINC000000895124
PDB chain6s6y Chain B Residue 402 [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)		R154 R202
Binding residue
(residue number reindexed from 1)		R153 R201
Annotation score4
External links