Structure of PDB 6pmt Chain A Binding Site BS02

Receptor Information

>6pmt Chain A (length=376) Species: 9606 (Homo sapiens)

AVVGIDLGTTNSCVAVMEGKQAKVLENAEGARTTPSVVAFTADGERLVGM
PAKRQAVTNPNNTFYATKRLIGRRYDDPEVQKDIKNVPFKIVRASNGDAW
VEAHGKLYSPSQIGAFVLMKMKETAENYLGHTAKNAVITVPAYFNDSQRQ
ATKDAGQISGLNVLRVINEPTAAALAYGLDKSEDKVIAVYDLGGGTFDIS
ILEIQKGVFEVKSTNGDTFLGGEDFDQALLRHIVKEFKRETGVDLTKDNM
ALQRVREAAEKAKCELSSSVQTDINLPYLTMDSSGPKHLNMKLTRAQFEG
IVTDLIRRTIAPCQKAMQDAEVSKSDIGEVILVGGMTRMPKVQQTVQDLF
GRAPSKAVNPDEAVAIGAAIQGGVLA

Ligand information

• Ligand ID: PIS
• InChI: InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
• InChIKey: HWTUHTNZLQJJEV-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: OP(=O)(O)O[P@](=O)(O)[S-]
  OpenEye OEToolkits 1.5.0: OP(=O)(O)OP(=O)(O)[S-]
  CACTVS 3.341: O[P](O)(=O)O[P@](O)([S-])=O
  CACTVS 3.341: O[P](O)(=O)O[P](O)([S-])=O
  ACDLabs 10.04: [S-]P(=O)(O)OP(=O)(O)O
• Formula: H3 O6 P2 S
• Name: TRIHYDROGEN THIODIPHOSPHATE;
  THIOPYROPHOSPHATE
• DrugBank: DB02423
• PDB chain: 6pmt Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6pmt Structure of the mortalin nucleotide binding domain in complex with adenosine monophosphate
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D59 G61 T62 K121 E222 D244 T249
• Binding residue (residue number reindexed from 1): D6 G8 T9 K68 E169 D191 T196
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D59 K121 E222 D244
• Catalytic site (residue number reindexed from 1): D6 K68 E169 D191

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0140662 ATP-dependent protein folding chaperone

External links

• PDB: RCSB:6pmt, PDBe:6pmt, PDBj:6pmt
• PDBsum: 6pmt
• UniProt: P38646|GRP75_HUMAN Stress-70 protein, mitochondrial (Gene Name=HSPA9)