Structure of PDB 8thm Chain A Binding Site BS01

Receptor Information
>8thm Chain A (length=461) Species: 180281 (Cyanobium sp. PCC 7001) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHPLTDASANDALHAYDTAVKLAFDRIVPVLKRLSALQHEDDFVGRAQAI
ALEELGFPLPEPILDTAWVSQLDMRTLYAWCVFETYEQTSEAFFRDDPLQ
GQPGSPSAEAFDRFLLDCGFHLLDITPCADGRLAHAIGFGLRLPFSSVRR
RPHAGALFDVENTVNRWVKTEHRRYREAQPNPAHADTRYLKVALYHFSSL
DPQHEGCAAHGSDDALAASCGLSRLKDFQQAVENSFCCGASVDLLLMGID
TDTDAIRVHVPGMDGSTRLDRWLDARDVYDATLGLPPDQARQRVSALVQE
AAASVPDPGMVTLVARLFEHNISQIDYVRQFHGGAYDDAGHAERFIGVGI
GFKEIHLRNLTYFAYMDTVEEGAADLDVGVKIFKGLNVSRGLPVPVVVRF
DYHGQVPGARDRAVRHCQRVQTAIESRYPELFQQGLLHALLTVRDQDRHT
PAEAVGSTIVF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8thm Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8thm Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP)
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C244 H312 C323
Binding residue
(residue number reindexed from 1)		C128 H196 C207
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
External links