Structure of PDB 7txp Chain A Binding Site BS01

Receptor Information

>7txp Chain A (length=209) Species: 470 (Acinetobacter baumannii)

MKELIIVGAGGHGNEISWLAKRCGRVVRGFLDNTVEKQGTFIRDIPVLGT
LDECSKFTDCDFVIAIGSPRARKKIIEHFFPEGEFTFATLIDPTATIGEN
IHIEEGTMICAGGILTVDVKLGKHCIVNTNAVLSHGVILGDYVTVAPNAS
ISGDVSLGNIVEIGANATIREKVSVQDGAMVGMGSVVIRNILSNQVVVGN
PAKLLKVIE

Ligand information

• Ligand ID: 0FX
• InChI: InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11-,12+,13-,15-/m1/s1
• InChIKey: UIVJXHWSIFBBCY-LPGAPTBISA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)N
  CACTVS 3.370: C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1N
  OpenEye OEToolkits 1.7.6: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N
  CACTVS 3.370: C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1N
  ACDLabs 12.01: O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C)O)O)C
• Formula: C16 H27 N3 O14 P2
• Name: dTDP-4-amino-4,6-dideoxyglucose
• ZINC: ZINC000030725213
• PDB chain: 7txp Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7txp Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): G10 G11 H12 D32 N33 T34 K37 I66 G67 I75
• Binding residue (residue number reindexed from 1): G10 G11 H12 D32 N33 T34 K37 I66 G67 I75
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016746 acyltransferase activity

External links

• PDB: RCSB:7txp, PDBe:7txp, PDBj:7txp
• PDBsum: 7txp
• PubMed: 35277885
• UniProt: A0A334FGR6