Structure of PDB 3uk8 Chain A Binding Site BS01

Receptor Information
>3uk8 Chain A (length=214) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMSITPPQIVSALRGRGWKASIVKASTMSSELKRVDPQGILKCVDGRG
SDNTQFGGPKMPGGIYAIAHNRGVTTLEGLKDITREVASKGHVPSVHGDH
SSDMLGCGFFKLWLTGRFDDMGYPRPEFDADQGALAVRAAGGVIEMHHGS
HEEKVVYINLVSGMTLEPNEHDQRFIVDGWAASKFGLDVVKFLVAAAATV
EMLGGPKKAKIVIP
Ligand information
Ligand IDCD
InChIInChI=1S/Cd/q+2
InChIKeyWLZRMCYVCSSEQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Cd++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cd+2]
FormulaCd
NameCADMIUM ION
ChEMBL
DrugBank
ZINC
PDB chain3uk8 Chain A Residue 700 [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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PDB3uk8 Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C473 H525 C535
Binding residue
(residue number reindexed from 1)		C45 H97 C107
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
External links