Structure of PDB 4lta Chain B Binding Site BS02

Receptor Information

>4lta Chain B (length=189) Species: 186497 (Pyrococcus furiosus DSM 3638)

MYKEPFGVKVDFETGIIEGAKKSVRRLSDMEGYFVDERAWKELVEKEDPV
VYEVYAVEQEEKEGDLNFATTVLYPGKVGKEFFFTKGHFHAKLDRAEVYV
ALKGKGGMLLQTPEGDAKWISMEPGTVVYVPRGWAHRTVNIGDEPFIFLA
IYPADAGHDYGTIAEKGFSKIVIEENGEVKVVDNPRWKK

Ligand information

• Ligand ID: PA5
• InChI: InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1
• InChIKey: HNECGPFIYSOYHF-JJYYJPOSSA-N
• SMILES:
  CACTVS 3.341: O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC(O)C(O)C(O)C(=O)O
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O
• Formula: C5 H11 O9 P
• Name: 5-PHOSPHOARABINONIC ACID
• DrugBank: DB03042
• PDB chain: 4lta Chain B Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lta Correlated mutation analysis as a tool for smart library design to improve protein performance.
• Resolution: 2.04 Å
• Binding residue (original residue number in PDB): Y52 T71 T85 G87 H88 E97 Y99 H136 Y152 Y160
• Binding residue (residue number reindexed from 1): Y52 T71 T85 G87 H88 E97 Y99 H136 Y152 Y160
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.3.1.9: glucose-6-phosphate isomerase.

Gene Ontology

Molecular Function

• GO:0004347 glucose-6-phosphate isomerase activity
• GO:0005506 iron ion binding
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006094 gluconeogenesis
• GO:0006096 glycolytic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4lta, PDBe:4lta, PDBj:4lta
• PDBsum: 4lta
• UniProt: P83194|G6PI_PYRFU Glucose-6-phosphate isomerase (Gene Name=pgiA)