Structure of PDB 8kho Chain A Binding Site BS01

Receptor Information

>8kho Chain A (length=287) Species: 9606 (Homo sapiens)

SHSIVLPAAVSSAHPVPKHIKKPDYVTTGIVPDWGDSIEVKNEDQIQGLH
QACQLARHVLLLAGKSLKVDMTTEEIDALVHREIISHNAYPSPLGYGGFP
KSVCTSVNNVLCHGIPDSRPLQDGDIINIDVTVYYNGYHGDTSETFLVGN
VDECGKKLVEVARRCRDEAIAACRAGAPFSVIGNTISHITHQNGFQVCPH
FVGHGIGSYFHGHPEIWHHANDSDLPMEEGMAFTIEPIITEGSPEFKVLE
DAWTVVSLDNQRSAQFEHTVLITSRGAQILTKLPHEA

Ligand information

• Ligand ID: MET
• InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
• InChIKey: FFEARJCKVFRZRR-BYPYZUCNSA-N
• SMILES:
  CACTVS 3.341: CSCC[CH](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCCC(C(=O)O)N
  CACTVS 3.341: CSCC[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCC[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CCSC
• Formula: C5 H11 N O2 S
• Name: METHIONINE
• ChEMBL: CHEMBL42336
• DrugBank: DB00134
• ZINC: ZINC000001532529
• PDB chain: 8kho Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8kho Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): F147 C152 D178 D189 H259 E284 E315
• Binding residue (residue number reindexed from 1): F99 C104 D130 D141 H211 E236 E267
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.11.18: methionyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0070006 metalloaminopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:8kho, PDBe:8kho, PDBj:8kho
• PDBsum: 8kho
• PubMed: 38102161
• UniProt: Q6UB28|MAP12_HUMAN Methionine aminopeptidase 1D, mitochondrial (Gene Name=METAP1D)