2026-06-20_00000258|medium|9TZD

De novo TIM barrel with Kemp eliminase activity - KempTIM1 with bound transition state analogue; X-ray diffraction 1.20Å
Protein #1 223 residues (99% resolved)

SGSGEIAYASGDADHLLAAREAGADILDVVDVDPARALAQVRRLRAAGARRILYASLRVDDLLAALEAGADILAVPDLDHDAALAQIRALKAAGAREIAYGSPDADHLLEAREAGADILGVAADTPAVRELWLRNLRQVFSEEEAREILDRRIHLPDPATAIEQVRRLRAAGAKRIMFASDDVDHLAAAKRAGADILLVAEAGGSAEARAAALAQVRRLKALW

SGSGEIAYASGDADHLLAAREAGADILDVVDVDPARALAQVRRLRAAGARRILYASLRVDDLLAALEAGADILAVPDLDHDAALAQIRALKAAGAREIAYGSPDADHLLEAREAGADILGVAADTPAVRELWLRNLRQVFSEEEAREILDRRIHLPDPATAIEQVRRLRAAGAKRIMFASDDVDHLAAAKRAGADILLVAEAGGSAEARAAALAQVRRLKALW
Non polymer #2 6NT

InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)

c1cc2c(cc1[N+](=O)[O-])[nH]nn2
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 PG0

InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

COCCOCCO
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Reference