Structure of PDB 4y9v Chain A Binding Site BS02 |
| >4y9v Chain A (length=603) Species: 1187128 (Acinetobacter phage AP22)
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ANSASAILDKSGISQQEVNDLTAHLDTYLKKMNILPSEDISTVLNQVKSD
GVKKLHVKSREYIVNSLIEFTDDFEFVNETGTVFNFGDTGGFYASGSHTQ
ITTLASDIVKNQSQSFDVADASQIQKGDWLVIYCTDDFSYSPYRNYYRKG
EFVEVASVSGNTVKFFGRAYDNYLTSENIVILKVNPINFKFNYLKTVSTD
NNPNVPLVIDYARNFETGYFENKGGKFAGLRLRRCFNFNIAINSAKNNAP
ANTLNYGIQISNCQNYNYFGGSNNSTRHAVAIGGDGDLGCVPCRNGYVSG
AILHSETDTSGADMHGNVERTVYDHCTTNYATFGAGDNEYSNCDIYEREG
QGCVLIAEPRGGEFKLTNNTYYTKTPLNSWSLVHGIIEKQLHEDLTVKLD
GGCINGVGGASAGIVTIRQSNALNEALTKKVNVHITGGVSCDFDALRHWA
WVEDGTIGRYTVPIGYIIVDDVVNTKDTANPYLIYPSQSTLATNVKTRQM
LQQGVVSVTSAVNNTATRANVINLKYKYSKAPNVIVSVGNLVGSASWDAT
FFNEDTNVEPLRTPTPVNSLVAIDQVRPAILWNKKVVTPKTFNLYWESGI
REI |
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| Ligand ID | 49T |
| InChI | InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8+/m1/s1 |
| InChIKey | XOCCAGJZGBCJME-VDUCJHRSSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O | | CACTVS 3.385 | C[C@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O | | ACDLabs 12.01 | O=C(NC1C(O)C(O)C(OC1O)C)C | | OpenEye OEToolkits 1.9.2 | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C)O)O | | OpenEye OEToolkits 1.9.2 | CC1C(C(C(C(O1)O)NC(=O)C)O)O |
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| Formula | C8 H15 N O5 |
| Name | 2-acetamido-2-deoxy-alpha-D-fucopyranose;
2-acetamido-2,6-deoxy-alpha-D-galactopyranose;
6-deoxy-N-acetyl-alpha-D-galactosamine;
N-acetyl-alpha-D-fucopyranosamine;
2-acetamido-2-deoxy-alpha-D-fucose;
2-acetamido-2-deoxy-D-fucose;
2-acetamido-2-deoxy-fucose;
2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4y9v Chain B Residue 2
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