2025-09-20_00000169|ligand|9NCS

RNase A in complex with Uridine Vanadate and decavanadates; X-ray diffraction 1.83Å

Protein #1 124 residues (98% resolved)

Raw Sequence ...

KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV

Canonical Sequence ...

KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV

Non polymer #2 DVT

InChI=1S/28O.10V/q;;;;;;;;;;;;;;8-1;4+1;2+4;10-1

InChI=1S/28O.10V/q;;;;;;;;;;;;;;8*-1;4*+1;2*+4;10*-1

SMILES: [O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]

[O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]

Non polymer #3 URI

InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1

SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

Non polymer #4 VVO

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

SMILES: O=[V+2]

O=[V+2]

Biounit #1 homo-dimer

Reference