Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Malonyl-CoA | Ligand Info | |||||
| Structure Description | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA | PDB:2XIQ | ||||
| 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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TYR96
2.656
THR98
3.016
MET99
3.139
PHE102
3.727
ARG103
3.381
THR106
2.608
ARG108
2.822
TYR110
2.677
SER135
3.609
SER183
4.338
SER185
3.006
THR187
3.234
THR216
2.841
GLN218
3.136
ARG228
2.630
|
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| Ligand Name: 5'-Deoxyadenosine | Ligand Info | |||||
| Structure Description | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin | PDB:2XIJ | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cobalamin | Ligand Info | |||||
| Structure Description | Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin | PDB:2XIJ | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B12 or .B122 or .B123 or :3B12;style chemicals stick;color identity;select .A:138 or .A:140 or .A:143 or .A:160 or .A:161 or .A:227 or .A:228 or .A:229 or .A:230 or .A:264 or .A:265 or .A:268 or .A:269 or .A:355 or .A:356 or .A:358 or .A:392 or .A:393 or .A:394 or .A:395 or .A:396 or .A:465 or .A:476 or .A:617 or .A:619 or .A:624 or .A:625 or .A:626 or .A:627 or .A:628 or .A:629 or .A:630 or .A:631 or .A:633 or .A:634 or .A:638 or .A:670 or .A:671 or .A:672 or .A:674 or .A:675 or .A:676 or .A:700 or .A:702 or .A:703 or .A:704 or .A:722 or .A:723 or .A:724 or .A:725 or .A:726 or .A:727 or .A:731 or .A:735; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE138
3.601
LEU140
3.679
HIS143
3.592
ALA160
3.172
GLY161
4.875
VAL227
2.758
ARG228
2.767
ASN229
4.192
THR230
3.400
TYR264
4.505
HIS265
4.070
GLU268
3.388
ALA269
3.838
GLY355
3.751
TRP356
3.575
LEU358
4.930
GLU392
3.004
ALA393
3.006
LEU394
3.362
GLY395
2.870
LEU396
4.706
LYS465
4.824
GLN476
3.542
LEU617
4.409
VAL619
4.601
GLN624
4.383
ASP625
3.782
GLY626
2.831
HIS627
2.132
ASP628
2.737
ARG629
3.059
GLY630
3.366
ALA631
4.490
VAL633
4.149
ILE634
3.511
PHE638
3.935
GLY670
3.558
VAL671
4.307
SER672
2.677
LEU674
3.474
ALA675
3.542
ALA676
3.676
MET700
4.915
GLY702
3.575
GLY703
3.056
VAL704
3.395
PHE722
3.452
GLY723
3.310
PRO724
3.622
GLY725
3.930
THR726
2.579
ARG727
4.695
ALA731
4.494
VAL735
4.353
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| 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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