2026-01-31_00000177|ligand|9OLD

Crystal structure of alpha-NPG-bound D59C MelBSt; X-ray diffraction 2.60Å
Protein #1 485 residues (94% resolved)

SISMTTKLSYGFGAFGKDFAIGIVYMYLMYYYTDVVGLSVGLVGTLFLVARIWDAINCPIMGWIVNATRSRWGKFKPWILIGTLTNSLVLFLLFSAHLFEGTAQVVFVCVTYILWGMTYTIMDIPFWSLVPTITLDKREREQLVPFPRFFASLAGFVTAGITLPFVSYVGGADRGFGFQMFTLVLIAFFIASTIVTLRNVHEVYSSDNGVTAGRPHLTLKTIVGLIYKNDQLSCLLGMALAYNIASNIINGFAIYYFTYVIGDADLFPYYLSYAGAANLLTLIVFPRLVKMLSRRILWAGASVMPVLSCAGLFAMALADIHNAALIVAAGIFLNIGTALFWVLQVIMVADTVDYGEFKLNIRCESIAYSVQTMVVKGGSAFAAFFIALVLGLIGYTPNVAQSAQTLQGMQFIMIVLPVLFFMMTLVLYFRYYRLNGDMLRKIQIHLLDKYRKTPPFVEQPDSPAISVVATSDVKAHHHHHHHHHH

SISMTTKLSYGFGAFGKDFAIGIVYMYLMYYYTDVVGLSVGLVGTLFLVARIWDAINCPIMGWIVNATRSRWGKFKPWILIGTLTNSLVLFLLFSAHLFEGTAQVVFVCVTYILWGMTYTIMDIPFWSLVPTITLDKREREQLVPFPRFFASLAGFVTAGITLPFVSYVGGADRGFGFQMFTLVLIAFFIASTIVTLRNVHEVYSSDNGVTAGRPHLTLKTIVGLIYKNDQLSCLLGMALAYNIASNIINGFAIYYFTYVIGDADLFPYYLSYAGAANLLTLIVFPRLVKMLSRRILWAGASVMPVLSCAGLFAMALADIHNAALIVAAGIFLNIGTALFWVLQVIMVADTVDYGEFKLNIRCESIAYSVQTMVVKGGSAFAAFFIALVLGLIGYTPNVAQSAQTLQGMQFIMIVLPVLFFMMTLVLYFRYYRLNGDMLRKIQIHLLDKYRKTPPFVEQPDSPAISVVATSDVKAHHHHHHHHHH
Non polymer #2 1PE

InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

C(COCCOCCOCCOCCO)O
Non polymer #3 9PG

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1

c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
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Reference