Structure of PDB 6s6y Chain J Binding Site BS01
Receptor Information
>6s6y Chain J (length=355) Species:
419610
(Methylorubrum extorquens PA1) [
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AAWVKGGAADVDAAVEAAADLLAASRVPVLAGLSAEVSALRAAYRLAETL
GASLDPVSGPSVYAELGALSAGGAMSTTRAETIGRADVILIVGNRPWDGE
LIAEIAAAAPSRGRAAGAERALLSLGGPQNGAIRHVAYAADAGGLTISLG
HLRAFAKGHLAGEAAFADLAKRLFAAQYGVIVYDPEEVGELGAEMLQGLI
RDLNESTRFFALTLADPFQGRAAVQLSAWTTGQAPRVGFGRHQPEHDSWR
FDSARQIAAGEADAALWLASLPAPRPAWLGSLPTIAIVGEGSQEAAGETA
EVVITVGVPGQSVGGALWNDRRGVIAYAEASDPETETAAGVLTRIRDRLI
EKGVS
Ligand information
Ligand ID
GLU
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
WHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0
C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0
C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370
N[CH](CCC(O)=O)C(O)=O
Formula
C5 H9 N O4
Name
GLUTAMIC ACID
ChEMBL
CHEMBL575060
DrugBank
DB00142
ZINC
ZINC000001482113
PDB chain
6s6y Chain J Residue 405 [
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Receptor-Ligand Complex Structure
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PDB
6s6y
Methylofuran is a prosthetic group of the formyltransferase/hydrolase complex and shuttles one-carbon units between two active sites.
Resolution
3.1 Å
Binding residue
(original residue number in PDB)
R154 R202
Binding residue
(residue number reindexed from 1)
R153 R201
Annotation score
4
External links
PDB
RCSB:6s6y
,
PDBe:6s6y
,
PDBj:6s6y
PDBsum
6s6y
PubMed
31776258
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