Structure of PDB 6vdf Chain D Binding Site BS01

Receptor Information
>6vdf Chain D (length=343) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQYPLSNLHYRDMGTGQNVLLITVDGLNYSRFEKQMPELATFAEQNIDFT
RHMSSGNTTDNGIFGLFYGISPGYMDGVLSTRTPAALITALNQQGYQLGL
FSSDGFASPLYRQALLSDFSMPAAQTQSDAQTASQWIDWLGRYAQEDNRW
FSWISFNGTNIDDSNQKNFVKRYASAASDVDAQINRVLNALREAGKFDNT
VVIITAGRGIPLTPEENRFDWSQGHLQVPLVIHWPGTPAQRINVLTDHTD
VMTTLMQRLLHVSTPANEYSQGQDIFTVPRRHNWVTAADGSTLAITTPQM
TLVLNNNGHYQTYDLHGEKIKDQKPQLSLLLQVLTEEKRFIAN
Ligand information
Ligand IDPSE
InChIInChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyWDWYJNPKBKWDBL-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(COP(=O)(O)O)N)O
ACDLabs 10.04O=P(O)(O)OCC(N)CO
OpenEye OEToolkits 1.5.0C([C@H](COP(=O)(O)O)N)O
CACTVS 3.341N[CH](CO)CO[P](O)(O)=O
CACTVS 3.341N[C@H](CO)CO[P](O)(O)=O
FormulaC3 H10 N O5 P
NameO-PHOSPHOETHANOLAMINE
ChEMBL
DrugBank
ZINC
PDB chain6vdf Chain D Residue 701 [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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PDB6vdf The essential inner membrane protein YejM is a metalloenzyme.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		D406 F412
Binding residue
(residue number reindexed from 1)		D163 F169
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6vdf, PDBe:6vdf, PDBj:6vdf
PDBsum6vdf
PubMed33082366
UniProtP40709|YEJM_SALTY Inner membrane protein YejM (Gene Name=yejM)

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