Structure of PDB 5ue6 Chain D Binding Site BS02

Receptor Information

>5ue6 Chain D (length=309) Species: 242231 (Neisseria gonorrhoeae FA 1090)

LPVIDAVTTHAPEVPPAIDRDYPAKVRVKMETVEKTMKMDDGVEYRYWTF
DGDVPGRMIRVREGDTVEVEFSNNPSSTVPHNVDFHAATGQGGGAAATFT
APGRTSTFSFKALQPGLYIYHCAVAPVGMHIANGMYGLILVEPKEGLPKV
DKEFYIVQGDFYTKGKKGAQGLQPFDMDKAVAEQPEYVVFNGHVGAIAGD
NALKAKAGETVRMYVGNGGPNLVSSFHVIGEIFDKVYVEGGKLINENVQS
TIVPAGGSAIVEFKVDIPGNYTLVDHSIFRAFNKGALGQLKVEGAENPEI
MTQKLSDTA

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 D 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): H86 H121
• 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): H81 D84 H86 H121 C122 H130 M135 H227 Q249 S250 H276
• 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