Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T42065 | Target Info | |||
| Target Name | N-acetylmannosamine kinase (GNE) | ||||
| Synonyms | UDPGlcNAc2epimerase/ManAc kinase; GNE; Bifunctional UDPNacetylglucosamine 2epimerase/Nacetylmannosamine kinase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GNE | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | adenosine diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6022 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2YHY Structure of N-Acetylmannosamine kinase in complex with N- acetylmannosamine and ADP | ||||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [1] |
| PDB Sequence |
GTLSALAVDL
414 GGTNLRVAIV424 SMKGEIVKKY434 TQFNPKTYEE444 RINLILQMCV454 EAAAEAVKLN 464 CRILGVGIST474 GGRVNPREGI484 VLHSTKLIQE494 WNSVDLRTPL504 SDTLHLPVWV 514 DNDGNCAALA524 ERKFGQGKGL534 ENFVTLITGT544 GIGGGIIHQH554 ELIHGSSFCA 564 AELGHLVVSL574 DGPDCSCGSH584 GCIEAYASGM594 ALQREAKKLH604 DEDLLLVEGM 614 SAVGALHLIQ629 AAKLGNAKAQ639 SILRTAGTAL649 GLGVVNILHT659 MNPSLVILSG 669 VLASHYIHIV679 KDVIRQQALS689 SVQDVDVVVS699 DLVDPALLGA709 ASMVLDYT |
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| PDB ID: 2YI1 Crystal structure of N-Acetylmannosamine kinase in complex with N- acetyl mannosamine 6-phosphate and ADP. | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
| PDB Sequence |
GTLSALAVDL
414 GGTNLRVAIV424 SMKGEIVKKY434 TQFNPKTYEE444 RINLILQMCV454 EAAAEAVKLN 464 CRILGVGIST474 GGRVNPREGI484 VLHSTKLIQE494 WNSVDLRTPL504 SDTLHLPVWV 514 DNDGNCAALA524 ERKFGQGKGL534 ENFVTLITGT544 GIGGGIIHQH554 ELIHGSSFCA 564 AELGHLVVSL574 DGPDCSCGSH584 GCIEAYASGM594 ALQREAKKLH604 DEDLLLVEGM 614 SAVGALHLIQ629 AAKLGNAKAQ639 SILRTAGTAL649 GLGVVNILHT659 MNPSLVILSG 669 VLASHYIHIV679 KDVIRQQALS689 SVQDVDVVVS699 DLVDPALLGA709 ASMVLDYT |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of N-acetylmannosamine kinase provide insights into enzyme activity and inhibition. J Biol Chem. 2012 Apr 20;287(17):13656-65. | ||||
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