2025-06-21_00000102
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ligand
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9FPU
Crystal structure of carbonic anhydrase II with N-butyl-4-chloro-3-sulfamoyl-benzamide;
X-ray diffraction 1.12Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1IEP
InChI=1S/C11H15ClN2O3S/c1-2-3-6-14-11(15)8-4-5-9(12)10(7-8)18(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChI=1S/C11H15ClN2O3S/c1-2-3-6-14-11(15)8-4-5-9(12)10(7-8)18(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
SMILES: CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl
Non polymer #3
BCN
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
SMILES: C(CO)N(CCO)CC(=O)O
C(CO)N(CCO)CC(=O)O
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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