Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15569 | Target Info | |||
| Target Name | Methylmalonyl-CoA mutase (MMUT) | ||||
| Synonyms | Methylmalonyl-CoA isomerase; MUT; MCM | ||||
| Target Type | Successful Target | ||||
| Gene Name | MUT | ||||
| Biochemical Class | Intramolecular transferases | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5'-Deoxyadenosine | Ligand Info | |||
| Canonical SMILES | CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | ||||
| InChI | 1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XGYIMTFOTBMPFP-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 439182 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2XIJ Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
QQPLHPEWAA
45 LAKKQLKGKN55 PEDLIWHTPE65 GISIKPLYSK75 RDTMDLPEEL85 PGVKPFTRGP 95 YPTMYTFRPW105 TIRQYAGFST115 VEESNKFYKD125 NIKAGQQGLS135 VAFDLATHRG 145 YDSDNPRVRG155 DVGMAGVAID165 TVEDTKILFD175 GIPLEKMSVS185 MTMNGAVIPV 195 LANFIVTGEE205 QGVPKEKLTG215 TIQNDILKEF225 MVRNTYIFPP235 EPSMKIIADI 245 FEYTAKHMPK255 FNSISISGYH265 MQEAGADAIL275 ELAYTLADGL285 EYSRTGLQAG 295 LTIDEFAPRL305 SFFWGIGMNF315 YMEIAKMRAG325 RRLWAHLIEK335 MFQPKNSKSL 345 LLRAHCQTSG355 WSLTEQDPYN365 NIVRTAIEAM375 AAVFGGTQSL385 HTNSFDEALG 395 LPTVKSARIA405 RNTQIIIQEE415 SGIPKVADPW425 GGSYMMECLT435 NDVYDAALKL 445 INEIEEMGGM455 AKAVAEGIPK465 LRIEECAARR475 QARIDSGSEV485 IVGVNKYQLE 495 KEDTVEVLAI505 DNTSVRNRQI515 EKLKKIKSSR525 DQALAERCLA535 ALTECAASGD 545 GNILALAVDA555 SRARCTVGEI565 TDALKKVFGE575 HKANDRMVSG585 AYRQEFGESK 595 EITSAIKRVH605 KFMEREGRRP615 RLLVAKMGQD625 GHDRGAKVIA635 TGFADLGFDV 645 DIGPLFQTPR655 EVAQQAVDAD665 VHAVGVSTLA675 AGHKTLVPEL685 IKELNSLGRP 695 DILVMCGGVI705 PPQDYEFLFE715 VGVSNVFGPG725 TRIPKAAVQV735 LDDIEKCLEK 745
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| PDB ID: 2XIQ Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
QQPLHPEWAA
45 LAKKQLKGKN55 PEDLIWHTPE65 GISIKPLYSK75 RDTMDLPEEL85 PGVKPFTRGP 95 YPTMYTFRPW105 TIRQYAGFST115 VEESNKFYKD125 NIKAGQQGLS135 VAFDLATHRG 145 YDSDNPRVRG155 DVGMAGVAID165 TVEDTKILFD175 GIPLEKMSVS185 MTMNGAVIPV 195 LANFIVTGEE205 QGVPKEKLTG215 TIQNDILKEF225 MVRNTYIFPP235 EPSMKIIADI 245 FEYTAKHMPK255 FNSISISGYH265 MQEAGADAIL275 ELAYTLADGL285 EYSRTGLQAG 295 LTIDEFAPRL305 SFFWGIGMNF315 YMEIAKMRAG325 RRLWAHLIEK335 MFQPKNSKSL 345 LLRAHCQTSG355 WSLTEQDPYN365 NIVRTAIEAM375 AAVFGGTQSL385 HTNSFDEALG 395 LPTVKSARIA405 RNTQIIIQEE415 SGIPKVADPW425 GGSYMMECLT435 NDVYDAALKL 445 INEIEEMGGM455 AKAVAEGIPK465 LRIEECAARR475 QARIDSGSEV485 IVGVNKYQLE 495 KEDTVEVLAI505 DNTSVRNRQI515 EKLKKIKSSR525 DQALAERCLA535 ALTECAASGD 545 GNILALAVDA555 SRARCTVGEI565 TDALKKVFGE575 HKANDRMVSG585 AYRQEFGESK 595 EITSAIKRVH605 KFMEREGRRP615 RLLVAKMGQD625 GHDRGAKVIA635 TGFADLGFDV 645 DIGPLFQTPR655 EVAQQAVDAD665 VHAVGVSTLA675 AGHKTLVPEL685 IKELNSLGRP 695 DILVMCGGVI705 PPQDYEFLFE715 VGVSNVFGPG725 TRIPKAAVQV735 LDDIEKCLEK 745 KQQS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of the human GTPase MMAA and vitamin B12-dependent methylmalonyl-CoA mutase and insight into their complex formation. J Biol Chem. 2010 Dec 3;285(49):38204-13. | ||||
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