Structure of PDB 6ojd Chain B Binding Site BS01

Receptor Information

>6ojd Chain B (length=226) Species: 96045 (Nocardia uniformis subsp. tsuyamanensis)

YVHTLNPEATGALVLVHPGEGLALPYHGLAPLLPDVRLHVLSDPRFGQSD
NRFATLAEMATRYVEWVRTTEPEGPYRLGGWSFGGVVALEMASQMTAHGD
EVSDLLLVDSHNLNAAPRTGDPREGVRQRLVELGVDPDSPEGVDVVEELL
HNGALAAQYAPPAYRGRVSLLVTPTDGDRDAVRARGWDRALLPDLVVEPV
PGAHERLFDEEHLSDTADAIRRALGG

Ligand information

• Ligand ID: MUY
• InChI: InChI=1S/C19H22N3O6P/c1-29(27,28)19(12-4-8-14(24)9-5-12)22-10-15(18(22)26)21-17(25)16(20)11-2-6-13(23)7-3-11/h2-9,15-16,19,23-24H,10,20H2,1H3,(H,21,25)(H,27,28)/t15-,16+,19-/m0/s1
• InChIKey: SAUAKDHLYZXRHJ-FCEWJHQRSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O
  CACTVS 3.385: C[P](O)(=O)[C@H](N1C[C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
  OpenEye OEToolkits 2.0.7: CP(=O)(C(c1ccc(cc1)O)N2CC(C2=O)NC(=O)C(c3ccc(cc3)O)N)O
  ACDLabs 12.01: Oc1ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)c3ccc(cc3)O
  CACTVS 3.385: C[P](O)(=O)[CH](N1C[CH](NC(=O)[CH](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
• Formula: C19 H22 N3 O6 P
• Name: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
• PDB chain: 6ojd Chain B Residue 2102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ojd Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
• Resolution: 1.99 Å
• Binding residue (original residue number in PDB): G1716 S1779 F1780 L1810 L1846 G1850 A1851 H1901
• Binding residue (residue number reindexed from 1): G19 S82 F83 L113 L149 G153 A154 H204
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0009058 biosynthetic process

External links

• PDB: RCSB:6ojd, PDBe:6ojd, PDBj:6ojd
• PDBsum: 6ojd
• PubMed: 31455765
• UniProt: Q5J1Q6