Structure of PDB 6g3r Chain A Binding Site BS02

Receptor Information

>6g3r Chain A (length=380) Species: 9606 (Homo sapiens)

KAAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIG
DAAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPK
VQVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFND
SQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGG
GTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKD
ISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARF
EELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQD
FFNGRDLNKSINPDEAVAYGAAVQAAILMG

Ligand information

• Ligand ID: TEW
• InChI: InChI=1S/O6Te.H2O.17O.6W/c1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;/h;1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;6*-1;;;;;;+1/p-1
• InChIKey: JDLYBIMRCSJRQJ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.6: [O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]
• Formula: O24 Te W6
• Name: 6-tungstotellurate(VI)
• PDB chain: 6g3r Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6g3r The crystallization additive hexatungstotellurate promotes the crystallization of the HSP70 nucleotide binding domain into two different crystal forms.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): K328 A329 N355
• Binding residue (residue number reindexed from 1): K326 A327 N353
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D10 K71 E175 D199
• Catalytic site (residue number reindexed from 1): D8 K69 E173 D197

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:6g3r, PDBe:6g3r, PDBj:6g3r
• PDBsum: 6g3r
• PubMed: 29949628
• UniProt: P0DMV8|HS71A_HUMAN Heat shock 70 kDa protein 1A (Gene Name=HSPA1A)