Structure of PDB 8qho Chain AAA Binding Site BS02

Receptor Information
>8qho Chain AAA (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYD
QATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDG
QGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSA
KPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPL
LECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKN
RQIKASFK
Ligand information
Ligand IDKIX
InChIInChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2
InChIKeyMFYYVEPZJUPHCD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7B1(c2ccccc2CCO1)(O)O
CACTVS 3.385O[B]1(O)OCCc2ccccc12
FormulaC8 H10 B O3
Name1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine;
3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain8qho Chain AAA Residue 303 [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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PDB8qho Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol
Resolution1.43 Å
Binding residue
(original residue number in PDB)		H94 H119 V121 V143 L198 T199 T200
Binding residue
(residue number reindexed from 1)		H92 H117 V119 V140 L195 T196 T197
Annotation score1
External links
PDB RCSB:8qho, PDBe:8qho, PDBj:8qho
PDBsum8qho
PubMed
UniProtP00918|CAH2_HUMAN Carbonic anhydrase 2 (Gene Name=CA2)

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