Structure of PDB 8thm Chain A Binding Site BS02

Receptor Information

>8thm Chain A (length=461) Species: 180281 (Cyanobium sp. PCC 7001)

MHPLTDASANDALHAYDTAVKLAFDRIVPVLKRLSALQHEDDFVGRAQAI
ALEELGFPLPEPILDTAWVSQLDMRTLYAWCVFETYEQTSEAFFRDDPLQ
GQPGSPSAEAFDRFLLDCGFHLLDITPCADGRLAHAIGFGLRLPFSSVRR
RPHAGALFDVENTVNRWVKTEHRRYREAQPNPAHADTRYLKVALYHFSSL
DPQHEGCAAHGSDDALAASCGLSRLKDFQQAVENSFCCGASVDLLLMGID
TDTDAIRVHVPGMDGSTRLDRWLDARDVYDATLGLPPDQARQRVSALVQE
AAASVPDPGMVTLVARLFEHNISQIDYVRQFHGGAYDDAGHAERFIGVGI
GFKEIHLRNLTYFAYMDTVEEGAADLDVGVKIFKGLNVSRGLPVPVVVRF
DYHGQVPGARDRAVRHCQRVQTAIESRYPELFQQGLLHALLTVRDQDRHT
PAEAVGSTIVF

Ligand information

• Ligand ID: RUB
• InChI: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
• InChIKey: YAHZABJORDUQGO-NQXXGFSBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[C@H](CO[P](O)(O)=O)[C@@H](O)C(=O)CO[P](O)(O)=O
• Formula: C5 H12 O11 P2
• Name: RIBULOSE-1,5-DIPHOSPHATE
• PDB chain: 8thm Chain A Residue 608

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8thm Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP)
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): R265 R266 K469 R560 Q562
• Binding residue (residue number reindexed from 1): R149 R150 K353 R444 Q446
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

External links

• PDB: RCSB:8thm, PDBe:8thm, PDBj:8thm
• PDBsum: 8thm
• PubMed: 38728392
• UniProt: B5ILN4