2026-03-07_00000172
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ligand
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9PAU
Crystal structure of Rv0097 G204F variant with vanadyl and CABA bound;
X-ray diffraction 1.70Å
Protein #1
302 residues (96% resolved)
Raw Sequence ...
MTLKVKGEGLGAQVTGVDPKNLDDITTDEIRDIVYTNKLVVLKDVHPSPREFIKLGRIIGQIVPYYEPMYHHEDHPEIFVSSTEEGQGVPKTGAFWHIDYMFMPEPFAFSMVLPLAVPGHDRGTYFIDLARVWQSLPAAKRDPARGTVSTHDPRRHIKIRPSDVYRPIGEVWDEINRTTPPIKWPTVIRHPKTGQEILYICATFTTKIEDKDGNPVDPEVLQELMAATGQLDPEYQSPFIHTQHYQVGDIILWDNRVLMHRAKHGSAAGTLTTYRLTMLDGLKTPGYAAKLAAALEHHHHHH
Canonical Sequence ...
MTLKVKGEGLGAQVTGVDPKNLDDITTDEIRDIVYTNKLVVLKDVHPSPREFIKLGRIIGQIVPYYEPMYHHEDHPEIFVSSTEEGQGVPKTGAFWHIDYMFMPEPFAFSMVLPLAVPGHDRGTYFIDLARVWQSLPAAKRDPARGTVSTHDPRRHIKIRPSDVYRPIGEVWDEINRTTPPIKWPTVIRHPKTGQEILYICATFTTKIEDKDGNPVDPEVLQELMAATGQLDPEYQSPFIHTQHYQVGDIILWDNRVLMHRAKHGSAAGTLTTYRLTMLDGLKTPGYAAKLAAALEHHHHHH
Non polymer #2
7UC
InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
SMILES: C[C@H](CC(=O)O)NCC(=O)O
C[C@H](CC(=O)O)NCC(=O)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
VVO
InChI=1S/O.V/q;+2
InChI=1S/O.V/q;+2
SMILES: O=[V+2]
O=[V+2]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%