Structure of PDB 4kh2 Chain A Binding Site BS01 |
| >4kh2 Chain A (length=595) Species: 9606 (Homo sapiens)
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APHLVQVDAARALWPLRRFWRSTGFCPPYVLSWDQQLNLAYVGAVPHRGI
KQVRTHWLLELVTTLSYNFTHLDGYLDLLRENQLLPGFELMGSASGHFTD
FEDKQQVFEWKDLVSSLARRYIGRYGLAHVSKWNFETWNEPDHHDFDNVS
MTMQGFLNYYDACSEGLRAASPALRLGGPGDSFHTPPRSPLSWGLLRHCH
DGTNFFTGEAGVRLDYISLHRKGARSSISILEQEKVVAQQIRQLFPKFAD
TPIYNDEADPLVGWSLPQPWRADVTYAAMVVKVIAQHQNLLLANTTSAFP
YALLSNDNAFLSYHPHPFAQRTLTARFQVNNTRPPHVQLLRKPVLTAMGL
LALLDEEQLWAEVSQAGTVLDSNHTVGVLASAHRPQGPADAWRAAVLIYA
SDDTRAHPNRSVAVTLRLRGVPPGPGLVYVTRYLDNGLCSPDGEWRRLGR
PVFPTAEQFRRMRAAEDPVAAAPRPLPAGGRLTLRPALRLPSLLLVHVCA
RPEKPPGQVTRLRALPLTQGQLVLVWSDEHVGSKCLWTYEIQFSQDYTPV
SRKPSTFNLFVFSPDTGAVSGSYRVRALDYWARPGPFSDPVPYLE |
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| Ligand ID | FIF |
| InChI | InChI=1S/C6H9FO5/c7-2-1-12-5(6(10)11)4(9)3(2)8/h2-5,8-9H,1H2,(H,10,11)/t2-,3+,4-,5+/m0/s1 |
| InChIKey | KRAJNEOUENOZDR-SKNVOMKLSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O | | ACDLabs 12.01 | FC1C(O)C(O)C(OC1)C(=O)O | | CACTVS 3.370 | O[C@@H]1[C@@H](F)CO[C@H]([C@H]1O)C(O)=O | | OpenEye OEToolkits 1.7.6 | C1C(C(C(C(O1)C(=O)O)O)O)F | | OpenEye OEToolkits 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)F |
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| Formula | C6 H9 F O5 |
| Name | 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid;
2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000095921357
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| PDB chain | 4kh2 Chain A Residue 911
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| Enzyme Commision number |
3.2.1.76: L-iduronidase. |
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