2024-02-24_00000056|ligand|8GOG

Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III)); X-ray diffraction 2.00Å

Protein #1 121 residues (100% resolved)

Raw Sequence ...

DQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTYGTTEANAWESTLVGHDTFTKV

Canonical Sequence ...

DQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTYGTTEANAWESTLVGHDTFTKV

Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #3 JSU

InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20;;;;/h17-18,20H,5-11H2,1-4H3,(H,22,25)(H2,23,24,26);3*1H;/q-1;;;;+3/p-3/t17-,18-,20-;;;;/m0..../s1

InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20;;;;/h17-18,20H,5-11H2,1-4H3,(H,22,25)(H2,23,24,26);3*1H;/q-1;;;;+3/p-3/t17-,18-,20-;;;;/m0..../s1

SMILES: CC12=C3([Rh+3]145([C-]2(C4(=C53C)C)CCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)([Cl-])([Cl-])[Cl-])C

CC12=C3([Rh+3]145([C-]2(C4(=C53C)C)CCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)([Cl-])([Cl-])[Cl-])C

Non polymer #4 RH3

InChI=1S/Rh/q+3

SMILES: [Rh+3]

[Rh+3]

Biounit #1 homo-tetramer

Reference