Structure of PDB 8ugh Chain 1I Binding Site BS03

Receptor Information

>8ugh Chain 1I (length=176) Species: 9823 (Sus scrofa)

TYKFVNMREPSMDMKSVTDRAAQTLLWTELVRGLGMTLSYLFREPATINY
PFEKGPLSPRFRGEHALRRYPSGEERCIACKLCEAVCPAQAITIEAEPRA
DGSRRTTRYDIDMTKCIYCGFCQEACPVDAIVEGPNFEFSTETHEELLYN
KEKLLNNGDKWEAEIAANIQADYLYR

Ligand information

• Ligand ID: AYA
• InChI: InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
• InChIKey: KTHDTJVBEPMMGL-VKHMYHEASA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)NC(=O)C
  CACTVS 3.341: C[C@H](NC(C)=O)C(O)=O
  CACTVS 3.341: C[CH](NC(C)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C[C@@H](C(=O)O)NC(=O)C
  ACDLabs 10.04: O=C(NC(C(=O)O)C)C
• Formula: C5 H9 N O3
• Name: N-ACETYLALANINE
• ChEMBL: CHEMBL1231115
• DrugBank: DB02518
• ZINC: ZINC000000114134
• PDB chain: 8ugh Chain 1I Residue 203

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ugh High-resolution in situ structures of mammalian respiratory supercomplexes.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): E44 P45
• Binding residue (residue number reindexed from 1): E44 P45
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003954 NADH dehydrogenase activity
• GO:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0006120 mitochondrial electron transport, NADH to ubiquinone
• GO:0032981 mitochondrial respiratory chain complex I assembly
• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0005739 mitochondrion
• GO:0005743 mitochondrial inner membrane
• GO:0045271 respiratory chain complex I

External links

• PDB: RCSB:8ugh, PDBe:8ugh, PDBj:8ugh
• PDBsum: 8ugh
• PubMed: 38811722
• UniProt: A0A286ZUN9