Structure of PDB 5ue6 Chain E Binding Site BS02

Receptor Information

>5ue6 Chain E (length=310) Species: 242231 (Neisseria gonorrhoeae FA 1090)

ELPVIDAVTTHAPEVPPAIDRDYPAKVRVKMETVEKTMKMDDGVEYRYWT
FDGDVPGRMIRVREGDTVEVEFSNNPSSTVPHNVDFHAATGQGGGAAATF
TAPGRTSTFSFKALQPGLYIYHCAVAPVGMHIANGMYGLILVEPKEGLPK
VDKEFYIVQGDFYTKGKKGAQGLQPFDMDKAVAEQPEYVVFNGHVGAIAG
DNALKAKAGETVRMYVGNGGPNLVSSFHVIGEIFDKVYVEGGKLINENVQ
STIVPAGGSAIVEFKVDIPGNYTLVDHSIFRAFNKGALGQLKVEGAENPE
IMTQKLSDTA

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 5ue6 Chain E Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ue6 Peptide Inhibitors Targeting the Neisseria gonorrhoeae Pivotal Anaerobic Respiration Factor AniA.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): H139 H174
• Binding residue (residue number reindexed from 1): H87 H122
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H134 D137 H139 H174 C175 H183 M188 H280 Q302 S303 H329
• Catalytic site (residue number reindexed from 1): H82 D85 H87 H122 C123 H131 M136 H228 Q250 S251 H277
• Enzyme Commision number: 1.7.2.1: nitrite reductase (NO-forming).

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0050421 nitrite reductase (NO-forming) activity

External links

• PDB: RCSB:5ue6, PDBe:5ue6, PDBj:5ue6
• PDBsum: 5ue6
• PubMed: 28584144
• UniProt: Q5F7A4