2024-01-20_00000117|ligand|8GDY

Crystal structure of the human PDI first domain with 9 mutations; X-ray diffraction 2.05Å
Protein #1 141 residues (85% resolved)

MGSSHHHHHHSSGLVPRGSHMDAPEEEDHVLVLRRSNFAEALAAHRYLLVEFYAPWCGHCRALAPEYARAAGRLRAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPREYTAGREADDIVNWLRRRTGPAA

MGSSHHHHHHSSGLVPRGSHMDAPEEEDHVLVLRRSNFAEALAAHRYLLVEFYAPWCGHCRALAPEYARAAGRLRAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPREYTAGREADDIVNWLRRRTGPAA
Non polymer #2 EDO

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

C(CO)O
Non polymer #3 SCN

InChI=1S/CHNS/c2-1-3/h3H/p-1

C(#N)[S-]
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Reference