2026-03-07_00000171|ligand|9PAS

Crystal structure of Rv0097 G204F variant with vanadyl and CADA bound; X-ray diffraction 1.55Å
Protein #1 302 residues (96% resolved)

MTLKVKGEGLGAQVTGVDPKNLDDITTDEIRDIVYTNKLVVLKDVHPSPREFIKLGRIIGQIVPYYEPMYHHEDHPEIFVSSTEEGQGVPKTGAFWHIDYMFMPEPFAFSMVLPLAVPGHDRGTYFIDLARVWQSLPAAKRDPARGTVSTHDPRRHIKIRPSDVYRPIGEVWDEINRTTPPIKWPTVIRHPKTGQEILYICATFTTKIEDKDGNPVDPEVLQELMAATGQLDPEYQSPFIHTQHYQVGDIILWDNRVLMHRAKHGSAAGTLTTYRLTMLDGLKTPGYAAKLAAALEHHHHHH

MTLKVKGEGLGAQVTGVDPKNLDDITTDEIRDIVYTNKLVVLKDVHPSPREFIKLGRIIGQIVPYYEPMYHHEDHPEIFVSSTEEGQGVPKTGAFWHIDYMFMPEPFAFSMVLPLAVPGHDRGTYFIDLARVWQSLPAAKRDPARGTVSTHDPRRHIKIRPSDVYRPIGEVWDEINRTTPPIKWPTVIRHPKTGQEILYICATFTTKIEDKDGNPVDPEVLQELMAATGQLDPEYQSPFIHTQHYQVGDIILWDNRVLMHRAKHGSAAGTLTTYRLTMLDGLKTPGYAAKLAAALEHHHHHH
Non polymer #2 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #3 VVO

InChI=1S/O.V/q;+2

O=[V+2]
Non polymer #4 VY9

InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1

CCCCCCC[C@H](CC(=O)O)NCC(=O)O
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