Structure of PDB 7q4t Chain AAA Binding Site BS02
Receptor Information
>7q4t Chain AAA (length=187) Species:
757342
(Pseudomonas phage JG004) [
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HMALTEQDFQSAADDLGVDVASVKAVTKVESRGSGFLLSGVPKILFERHW
MFKLLKRKLGHDPEINDVCNPKAGGYLGGQAEHERLDKAVKMDRDCALQS
ASWGLFQIMGFHWEALGYASVQAFVNAQYASEGSQLNTFVRFIKINPAIH
KALKSKNWAEFAKRYNGPDYKKNNYDVKLAEAYQSFK
Ligand information
Ligand ID
MUB
InChI
InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
InChIKey
MNLRQHMNZILYPY-MDMHTWEWSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O
ACDLabs 10.04
O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
OpenEye OEToolkits 1.5.0
CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C
CACTVS 3.341
C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
Formula
C11 H19 N O8
Name
N-acetyl-alpha-muramic acid;
N-acetyl-muramic acid;
N-ACETYLMURAMIC ACID
ChEMBL
CHEMBL1234516
DrugBank
ZINC
ZINC000003861769
PDB chain
7q4t Chain LLL Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
7q4t
Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain.
Resolution
1.27 Å
Binding residue
(original residue number in PDB)
R93 Q121
Binding residue
(residue number reindexed from 1)
R94 Q122
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7q4t
,
PDBe:7q4t
,
PDBj:7q4t
PDBsum
7q4t
PubMed
35362467
UniProt
F4YDQ3
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